data_2edf_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 2edf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -57.71 166.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -95.25 118.64 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -36.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 97.4 mttt -106.33 96.03 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.73 157.29 60.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.99 -176.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 32.4 mt-10 -148.51 166.5 28.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -69.61 121.82 17.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 16' ' ' GLU . 1.8 mp0 -103.73 142.46 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -122.48 107.05 11.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 m -132.12 -175.52 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.06 162.0 21.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 94' ' ' GLU . 54.3 Cg_endo -69.71 85.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.89 -6.83 1.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -92.82 164.23 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.97 132.33 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.25 136.71 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.44 113.01 15.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.62 98.91 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -91.48 163.45 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 p -152.52 -176.4 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.5 tp10 -137.46 138.51 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.76 144.58 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -63.8 -9.17 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -157.56 152.33 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.866 0.365 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -134.83 107.15 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -87.91 112.45 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -109.63 116.8 32.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' CE ' ' O ' ' A' ' 74' ' ' ASP . 1.8 tmtt? -111.59 113.52 25.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' CG ' ' HD3' ' A' ' 43' ' ' LYS . 85.1 m-20 63.61 41.08 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 63.8 31.54 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -129.62 136.91 50.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.03 124.03 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.524 ' CG2' ' CD2' ' A' ' 54' ' ' TYR . 24.1 mt -93.9 153.66 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -125.08 126.12 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -51.28 119.38 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 57.7 p -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.7 tp60 -35.73 -50.05 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.19 -62.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.524 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 48.0 m-85 -93.18 106.98 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -100.21 96.96 7.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.4 t -73.96 100.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -145.5 121.88 10.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.41 105.89 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.4 ttp -107.95 142.32 38.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.8 tp -126.05 109.48 12.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 t -87.4 121.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.43 HD12 ' CZ ' ' A' ' 78' ' ' TYR . 16.6 mt -106.78 74.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -43.16 135.93 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.96 82.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 101.97 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 m -84.13 169.6 14.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 mt -49.25 -28.42 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -75.17 -43.94 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.49 ' O ' ' CE ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -44.58 -24.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.15 123.14 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.46 37.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -93.18 109.25 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.394 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CZ ' HD12 ' A' ' 67' ' ' ILE . 52.5 m-85 -89.29 113.08 24.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.3 m -108.47 107.81 18.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 t -81.31 87.32 6.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.93 99.8 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.9 p -96.22 -177.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -30.97 -71.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.45 -30.98 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.1 t -73.71 179.05 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 17.7 mtmm -166.83 140.87 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.5 t -131.42 134.88 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 89' ' ' ALA . 11.8 m -119.49 146.39 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' N ' HG22 ' A' ' 88' ' ' THR . . . -154.76 169.45 23.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -127.59 120.08 27.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.8 tp -88.66 146.49 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -125.12 151.0 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.2 t -157.38 112.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.411 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 38.4 mt-10 -134.35 144.07 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.758 0.313 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -47.8 164.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.0 mt -97.31 130.29 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.78 -35.97 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 63.2 mttm -109.77 97.14 27.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.535 0.684 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.9 Cg_endo -69.7 162.66 41.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.82 172.82 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -138.18 146.78 43.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.23 126.81 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -98.66 147.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.464 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 5.0 m-90 -131.33 95.54 3.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.68 -176.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.7 164.48 14.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 87.62 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.63 -10.98 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.53 176.24 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -100.97 148.71 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.39 147.97 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.06 125.4 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -121.89 90.29 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 17.0 mtm105 -88.58 151.96 22.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 p -141.26 -175.94 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 14.6 tt0 -135.1 144.91 47.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mt -131.6 131.87 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -51.23 -28.71 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.86 143.52 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' CB ' HG21 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.541 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 4.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.8 0.333 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -106.41 106.22 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.541 ' NE1' ' CG1' ' A' ' 39' ' ' VAL . 94.8 m95 -88.68 107.94 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.19 119.87 40.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -108.12 102.0 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.99 51.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 57.38 45.69 19.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -149.71 122.15 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 125.73 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.6 mt -88.54 148.43 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -111.96 133.46 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -64.87 111.27 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.6 t -154.42 169.4 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.5 pt20 -34.51 -36.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 74' ' ' ASP . 18.5 tptp -70.0 -59.78 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -109.22 122.13 46.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.62 113.99 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.03 103.23 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.887 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.433 HG21 ' CB ' ' A' ' 35' ' ' ALA . 52.5 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.778 0.323 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.7 ttp -142.91 105.09 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.01 114.11 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.8 ttp -117.78 137.11 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.434 HD21 ' CE3' ' A' ' 41' ' ' TRP . 53.6 tp -119.62 101.01 7.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -81.71 129.15 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.403 HG22 ' NZ ' ' A' ' 53' ' ' LYS . 14.0 mt -117.16 86.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -56.36 135.72 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.25 81.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.47 102.04 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.6 m -83.14 167.98 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.9 mt -53.99 -23.78 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -83.73 -36.23 23.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 53' ' ' LYS . 2.8 m-20 -51.35 -22.14 2.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 120.38 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.2 -172.73 33.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -98.98 130.62 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -111.81 112.02 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.0 m -100.48 108.09 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.25 77.45 9.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.02 116.65 8.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.3 p -109.65 -178.4 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.13 -69.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.1 -32.33 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.455 ' C ' HG13 ' A' ' 82' ' ' VAL . 2.1 t -73.06 -175.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -166.42 147.01 6.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -134.82 128.62 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -115.8 148.0 40.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -159.14 163.21 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -126.09 131.0 52.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -97.45 137.11 36.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.464 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 79.4 m-70 -117.58 144.93 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.1 t -141.06 107.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -132.38 136.73 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.454 ' C ' ' OE2' ' A' ' 83' ' ' GLU . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.784 0.326 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -71.51 169.73 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 65.2 mt -97.04 106.84 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -37.73 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 68.5 mttt -105.66 93.75 7.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.907 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.79 155.88 64.72 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 28' ' ' LEU . 16.5 mt -62.09 176.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -144.29 162.81 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.4 127.09 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -103.03 149.48 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.566 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 8.9 m-90 -133.0 97.29 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.406 HG21 ' CG2' ' A' ' 26' ' ' VAL . 13.2 m -128.31 -176.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.1 161.19 23.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.08 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.349 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.8 -11.32 1.09 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -90.6 178.45 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.86 125.43 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' ' 20' ' ' VAL . 91.0 t -94.25 144.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.05 107.8 7.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 11.9 mt -98.69 96.9 8.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 26.4 mtm105 -92.84 143.19 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -135.36 -175.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -135.83 147.92 48.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' CG2' ' A' ' 61' ' ' THR . 3.4 mt -133.03 132.41 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.0 t -57.57 -15.02 6.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -154.73 140.96 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.352 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -124.52 102.31 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.28 112.49 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.14 125.73 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.432 ' HB2' ' CD1' ' A' ' 48' ' ' ILE . 9.0 tttm -110.48 90.46 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 72.44 51.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 63.52 38.88 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -143.06 129.1 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.7 119.18 12.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.466 HG21 ' CD2' ' A' ' 54' ' ' TYR . 62.4 mt -81.76 136.56 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 124.28 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -55.3 110.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 39.6 p -149.39 172.53 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.5 mt-30 -37.5 -41.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -69.06 -54.85 12.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CD2' HG21 ' A' ' 48' ' ' ILE . 46.4 m-85 -102.42 113.9 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.43 93.08 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.2 t -71.62 94.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.5 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -146.05 109.04 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.24 115.61 30.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.0 ttp -115.38 129.53 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -113.92 101.21 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.2 t -76.17 137.68 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.507 HD13 ' CZ ' ' A' ' 78' ' ' TYR . 18.6 mt -121.51 81.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -51.11 139.11 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.02 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.55 100.98 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -92.3 167.25 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 mt -39.84 -38.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -61.08 -47.37 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.78 -38.76 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 91' ' ' LEU . . . -47.27 116.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.92 -166.11 30.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -99.03 130.43 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 95.2 m-85 -108.19 100.12 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.422 ' CG2' ' HD3' ' A' ' 86' ' ' LYS . 99.6 m -94.42 111.67 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.3 t -91.92 94.81 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -81.82 99.69 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.8 p -91.42 179.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.3 -70.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.36 -28.3 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 m -81.44 -179.15 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HD3' ' CG2' ' A' ' 79' ' ' THR . 13.8 ttmt -160.16 159.71 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 t -144.32 128.17 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.4 m -117.13 145.27 43.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.78 165.38 36.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.5 p -125.66 123.12 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 75' ' ' ALA . 11.6 tp -91.95 144.37 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 71.4 m-70 -125.72 134.16 51.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.7 t -135.87 106.86 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -123.57 130.88 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.786 0.327 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 178.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 57.2 mt -100.58 121.2 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' CD1' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.33 -36.1 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -115.43 110.2 45.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.65 59.68 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.1 175.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -139.48 162.27 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 4.9 p30 -76.54 123.34 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -104.35 140.01 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 9.7 m-90 -120.21 110.36 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 26' ' ' VAL . 22.1 m -133.41 -175.07 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.35 162.8 18.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 95' ' ' GLU . 53.5 Cg_endo -69.82 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.11 -10.15 0.99 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.84 -178.45 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -114.38 124.5 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 20' ' ' VAL . 55.7 t -88.06 152.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -140.83 110.4 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mt -105.07 98.44 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -95.66 156.56 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -148.08 -175.03 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.522 ' OE2' ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -132.68 133.58 43.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 3.0 mt -118.09 132.91 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.462 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 10.2 p -52.7 -22.25 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 66.2 ttt-85 -143.23 132.55 23.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.85 0.357 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -132.31 93.63 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CE3' HD23 ' A' ' 65' ' ' LEU . 95.7 m95 -77.92 109.82 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.8 mt -109.99 127.88 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 48' ' ' ILE . 10.3 tmtt? -116.46 102.93 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.74 45.51 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 65.92 41.67 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -143.22 129.14 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.66 112.66 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.075 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.627 ' CG2' ' CD2' ' A' ' 54' ' ' TYR . 22.3 mt -78.87 161.05 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -125.05 164.4 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -85.29 127.3 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -168.24 -179.73 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.61 -42.28 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -68.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 24.6 m-85 -95.49 110.67 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -106.02 111.81 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -82.18 118.69 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.0 ttp -146.55 108.15 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.72 106.85 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 32.8 ttp -112.16 138.96 48.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.557 HD23 ' CE3' ' A' ' 41' ' ' TRP . 29.8 tp -120.6 100.2 6.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.84 142.21 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.431 ' CG2' ' OD1' ' A' ' 74' ' ' ASP . 41.0 mt -126.84 90.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -57.1 129.61 42.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.24 74.41 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.9 99.98 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.0 m -90.95 167.43 12.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' HA ' ' CG1' ' A' ' 93' ' ' VAL . 22.9 mt -41.98 -34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' ASP . 15.0 ttpt -66.53 -53.4 35.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' LYS . 1.1 t70 -34.26 -46.62 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.59 117.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.91 37.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.54 99.11 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -88.11 115.41 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 100.0 m -106.52 103.9 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.97 89.64 5.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.27 110.64 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.501 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.5 p -91.2 -179.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -28.8 -67.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.01 -42.9 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.456 ' C ' HG13 ' A' ' 82' ' ' VAL . 1.7 m -74.95 177.74 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.12 128.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.5 t -108.79 161.38 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.5 m -138.55 134.06 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.56 -176.88 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.0 t -141.92 129.25 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -94.21 138.82 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.627 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 67.3 m-70 -118.47 145.29 45.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -155.61 131.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.421 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 37.3 mt-10 -145.35 140.88 28.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.462 ' HA ' ' CD ' ' A' ' 22' ' ' PRO . 10.0 tm-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.792 0.33 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.02 -179.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.433 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 41.3 mt -107.84 113.49 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.38 -36.63 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 69.0 mttt -108.5 96.81 20.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.526 0.679 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.5 Cg_endo -69.68 155.0 67.37 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.82 167.79 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -133.98 154.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.59 139.86 58.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -118.77 141.29 48.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 -121.9 103.5 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 HG21 ' CG2' ' A' ' 26' ' ' VAL . 20.9 m -130.38 -178.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.36 164.45 14.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 94' ' ' GLU . 54.3 Cg_endo -69.77 92.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.33 -8.87 3.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -91.71 171.59 9.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -100.08 149.41 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.403 ' CG2' HG21 ' A' ' 20' ' ' VAL . 73.0 t -125.0 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.95 106.13 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mt -98.01 101.37 12.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -94.66 162.81 13.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.07 179.23 8.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.89 141.01 47.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -127.72 142.21 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -60.13 -13.95 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 35' ' ' ALA . 20.8 ttm180 -159.14 147.41 17.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.443 HG13 ' CD1' ' A' ' 41' ' ' TRP . 5.8 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.888 0.375 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -105.94 100.64 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.47 ' CE3' HD23 ' A' ' 65' ' ' LEU . 97.9 m95 -81.19 111.14 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 mt -113.53 127.51 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -107.3 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.06 48.0 18.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 66.88 42.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -144.77 107.06 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.47 127.85 16.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 49' ' ' ARG . 43.5 mt -92.01 146.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.462 ' N ' HG21 ' A' ' 48' ' ' ILE . 45.9 mtp180 -116.38 120.35 38.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.47 130.72 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.8 t -170.88 170.93 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' SER . 39.2 tp60 -37.34 -42.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.75 -66.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.427 ' CD2' HG22 ' A' ' 48' ' ' ILE . 33.1 m-85 -97.34 101.13 12.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.46 104.25 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 t -82.32 108.17 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 35' ' ' ALA . 32.3 p . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.798 0.333 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -144.52 119.19 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.96 107.4 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 48.4 ttp -108.84 153.91 22.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD23 ' CE3' ' A' ' 41' ' ' TRP . 20.3 tp -138.41 109.67 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.8 125.92 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.29 77.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.25 134.86 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.18 82.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 100.71 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.3 m -80.66 157.88 25.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -38.69 -37.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -63.24 -42.7 99.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -46.15 -40.88 11.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.47 116.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.92 -171.84 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.61 142.19 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -121.43 105.24 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.4 m -96.5 111.52 23.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.75 87.4 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.49 121.15 16.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.9 p -109.77 178.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.52 -71.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.66 -31.83 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -78.9 -174.51 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -159.37 162.85 35.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -151.01 142.36 23.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -131.37 156.09 46.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.41 -176.63 5.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -144.27 111.84 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.9 tp -91.65 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -118.89 137.86 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.6 t -140.12 109.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 11.0 mt-10 -125.36 140.2 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -36.76 154.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mt -93.16 111.53 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.6 -36.09 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 35.2 mttp -106.99 95.84 13.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.98 177.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -147.32 149.56 33.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.483 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 5.8 m-20 -53.74 126.8 23.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -104.29 131.8 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -108.68 102.08 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 m -128.91 -175.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.61 165.19 13.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 92.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.286 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.66 -13.39 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.6 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -102.42 130.22 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.11 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -129.97 118.41 21.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.6 mt -110.68 90.63 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -82.08 161.06 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.64 -175.16 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' CD ' ' HD2' ' A' ' 13' ' ' LYS . 7.2 tt0 -143.63 140.34 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.32 144.73 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -55.5 -27.49 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 9' ' ' ALA . 15.0 ptt180 -147.21 158.12 43.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.44 HG12 ' NE1' ' A' ' 41' ' ' TRP . 5.5 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.878 0.371 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -133.56 116.82 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.44 ' NE1' HG12 ' A' ' 39' ' ' VAL . 90.1 m95 -98.89 114.75 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mt -114.78 119.41 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -108.33 102.62 11.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 63.05 53.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.23 45.93 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -147.35 117.69 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.47 129.0 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.6 mt -93.28 144.23 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -119.14 116.41 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -38.74 137.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 52' ' ' GLN . 54.5 p -169.88 166.01 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.4 tp-100 -35.08 -38.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -72.01 -68.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -87.99 119.85 28.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -110.23 109.37 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.42 99.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.802 0.335 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.4 ttp -153.13 119.6 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.61 116.64 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.1 ttp -115.61 146.26 41.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.9 tp -128.78 103.86 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 t -81.18 134.05 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.402 ' CG2' ' OD2' ' A' ' 74' ' ' ASP . 19.4 mt -118.49 76.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLY . 16.4 mmm180 -44.97 140.25 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 37.73 77.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 100.47 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -80.95 159.68 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 mt -40.11 -35.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -66.67 -46.7 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.402 ' OD2' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -39.23 -36.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB1' ' CG1' ' A' ' 93' ' ' VAL . . . -51.51 123.36 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.5 -167.51 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -104.64 130.46 52.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.95 108.31 17.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 m -93.96 110.07 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.93 95.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -88.13 124.51 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -126.81 -174.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.74 -72.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.6 -26.25 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.66 167.28 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -155.58 140.65 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 t -127.29 153.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 m -141.65 146.41 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.75 178.79 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 52.7 p -141.58 120.71 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.8 tp -84.07 138.08 33.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.483 ' CD2' ' HB3' ' A' ' 17' ' ' ASP . 85.4 m-70 -119.29 133.47 55.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.454 ' CG1' ' HB1' ' A' ' 75' ' ' ALA . 1.2 p -140.96 136.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -153.71 138.65 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.479 ' CB ' ' HG2' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.813 0.339 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.7 158.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.465 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 28.6 mt -96.21 118.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.36 -37.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 45.0 mttm -104.91 94.75 7.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 2.288 . . . . 0.0 112.365 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.5 -179.48 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -145.16 179.95 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.42 128.77 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -106.54 139.24 41.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.536 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 7.9 m-90 -123.53 105.59 9.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.92 -175.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.68 159.01 30.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.721 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 86.72 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.66 -12.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.36 170.72 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -97.01 150.5 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.499 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 92.8 t -125.13 141.88 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' HG12 ' A' ' 26' ' ' VAL . 52.5 mt-10 -129.44 127.41 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.86 104.85 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -100.38 149.27 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -134.27 -175.2 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.1 tp10 -137.6 134.27 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -121.17 133.33 55.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -46.8 -36.43 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.479 ' HG2' ' CB ' ' A' ' 9' ' ' ALA . 4.6 ptt180 -139.43 146.47 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.3 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.894 0.378 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -120.95 109.94 15.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.526 ' CE3' HD21 ' A' ' 65' ' ' LEU . 96.3 m95 -91.06 112.61 24.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mt -116.69 114.13 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.68 105.82 16.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 58.81 50.31 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 60.48 42.12 14.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -146.24 114.31 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.79 132.37 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.423 HG21 ' CD2' ' A' ' 54' ' ' TYR . 45.1 mt -93.62 138.24 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -112.91 116.0 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -42.37 115.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -149.85 172.8 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -45.97 -24.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -84.77 -55.68 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.423 ' CD2' HG21 ' A' ' 48' ' ' ILE . 49.1 m-85 -103.19 104.04 14.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -96.08 106.78 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 t -86.39 115.02 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.2 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.753 0.311 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -139.74 105.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.94 103.51 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 47.5 ttp -102.6 148.75 25.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.526 HD21 ' CE3' ' A' ' 41' ' ' TRP . 17.6 tp -134.37 104.08 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.35 136.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mt -119.96 77.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -52.48 134.66 34.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.16 81.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 100.87 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ASP . 2.9 p -84.85 159.99 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.1 mt -39.52 -34.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.426 ' CG ' ' N ' ' A' ' 74' ' ' ASP . 19.2 pttt -69.85 -43.15 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.1 m-20 -42.56 -32.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . . . -55.42 119.36 5.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.36 -171.52 34.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -95.76 126.49 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.95 105.26 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.2 m -99.53 112.43 24.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 35.0 t -90.72 91.01 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -79.76 118.39 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.521 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.9 p -112.43 179.13 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.521 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.53 -72.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -34.01 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -80.68 -174.66 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.5 ttpt -175.69 149.44 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 t -123.44 162.03 23.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -144.58 130.66 19.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.99 -178.71 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.9 m -148.68 107.63 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.536 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 98.3 m-70 -127.71 141.13 51.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -147.8 132.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -143.69 131.61 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.775 0.321 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.55 174.79 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.5 mt -102.93 133.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -106.7 -35.44 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 32.9 mttm -110.83 97.35 33.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.77 155.53 65.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.364 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.67 -176.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -152.18 141.39 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -46.28 133.43 9.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -112.38 142.47 44.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -122.71 97.96 5.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -122.65 -176.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.28 162.44 19.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 111.07 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 89.45 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.12 -12.02 2.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.89 179.14 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.44 127.74 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.82 139.63 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -129.7 120.02 24.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.6 mt -111.88 88.91 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -86.35 151.77 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -145.2 -176.57 5.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 24.3 tt0 -132.47 140.97 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 mt -126.94 135.54 51.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -54.05 -24.02 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.409 ' C ' HG22 ' A' ' 61' ' ' THR . 27.4 ttt180 -136.7 135.09 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.41 HG12 ' NE1' ' A' ' 41' ' ' TRP . 7.8 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -116.98 103.09 9.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.565 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 95.9 m95 -86.22 105.16 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mt -104.88 122.77 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HB2' ' CD1' ' A' ' 48' ' ' ILE . 16.2 tttm -107.11 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 65.35 47.89 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 66.92 31.41 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -137.75 114.02 10.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.41 121.4 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 53.0 mt -81.84 143.68 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -109.17 133.16 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -56.92 118.02 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 52' ' ' GLN . 3.2 m -153.06 162.93 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' SER . 34.7 mm-40 -34.61 -42.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.01 -54.66 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -103.98 105.04 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.83 113.17 25.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.0 t -79.08 110.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 35' ' ' ALA . 72.1 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -134.86 89.3 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.95 121.18 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.4 ttp -126.85 133.83 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 41' ' ' TRP . 33.2 tp -113.48 105.1 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.28 141.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.481 HD12 ' CZ ' ' A' ' 78' ' ' TYR . 34.7 mt -125.41 82.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.1 129.73 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 42.1 78.28 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.11 102.31 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -84.33 160.15 20.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.8 mt -39.74 -33.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.15 -52.8 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.449 ' OD2' ' CG2' ' A' ' 67' ' ' ILE . 1.6 t70 -38.87 -31.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.471 ' CB ' HG11 ' A' ' 93' ' ' VAL . . . -54.42 118.4 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.54 -143.72 3.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -126.14 120.39 30.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.481 ' CZ ' HD12 ' A' ' 67' ' ' ILE . 88.0 m-85 -103.69 112.26 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 87' ' ' SER . 45.2 m -108.27 107.85 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.565 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -84.4 86.14 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 8.6 tt0 -80.13 104.88 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.4 p -80.1 -178.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -30.06 -63.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.58 -42.47 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.428 ' C ' HG11 ' A' ' 82' ' ' VAL . 1.5 t -77.01 178.94 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 25.9 pttt -168.54 147.19 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' CG2' ' A' ' 79' ' ' THR . 37.7 t -116.14 -175.29 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.6 m -159.93 136.62 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.28 157.84 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 m -123.26 115.25 21.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.9 tp -79.01 158.47 27.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -140.97 130.0 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.19 133.42 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -153.42 136.62 15.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.886 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.808 0.337 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.52 171.13 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.1 mt -93.29 111.83 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -36.5 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 53.6 mttm -108.84 98.77 31.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 161.9 44.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.57 174.72 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.31 140.69 32.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -46.18 129.95 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -107.15 144.83 33.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.578 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 9.0 m-90 -126.92 97.63 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.68 -175.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.4 161.47 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.55 -12.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.44 172.66 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.55 136.0 43.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -105.59 142.67 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -131.5 110.08 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -101.23 98.52 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -94.44 154.51 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -142.96 -177.83 5.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 2.8 tp10 -133.76 141.25 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -128.81 138.6 52.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -63.73 -7.09 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -154.26 139.35 17.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' CA ' HG22 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 8.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.862 0.363 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.401 ' N ' HG22 ' A' ' 39' ' ' VAL . 2.4 t-160 -115.39 103.89 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.559 ' CZ2' ' HB2' ' A' ' 65' ' ' LEU . 98.8 m95 -84.82 108.17 17.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.49 119.05 37.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -104.51 105.7 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.3 48.82 18.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 65.34 44.89 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -151.8 114.87 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.16 129.38 31.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 49' ' ' ARG . 53.5 mt -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 48' ' ' ILE . 12.6 ptt180 -118.5 140.4 49.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -69.32 123.0 20.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -165.85 171.99 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -42.6 -37.3 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.445 ' CE ' HG21 ' A' ' 67' ' ' ILE . 15.6 tptm -69.69 -54.15 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -112.99 98.16 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.2 116.62 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.6 t -94.0 103.35 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.451 HG22 ' CA ' ' A' ' 35' ' ' ALA . 30.1 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.789 0.328 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 62' ' ' MET . 10.6 tmm? -145.52 109.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.51 108.51 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.3 ttp -108.94 138.13 45.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 41' ' ' TRP . 18.6 tp -122.94 100.3 6.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.84 134.85 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.445 HG21 ' CE ' ' A' ' 53' ' ' LYS . 18.8 mt -119.77 78.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -44.88 135.77 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.41 82.28 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.45 100.19 12.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -54.22 -35.18 62.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.04 -44.71 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -35.07 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.05 121.34 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.18 -159.98 11.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -116.03 116.78 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -101.81 119.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.4 m -107.49 105.26 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 8.7 t -81.35 95.28 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.475 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 4.4 tt0 -92.51 124.51 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -104.6 -174.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -29.3 -70.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 -28.95 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 t -86.55 178.58 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 4.0 ptpp? -175.35 147.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 t -125.33 169.18 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 89' ' ' ALA . 88.9 m -143.29 142.66 31.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.468 ' N ' HG22 ' A' ' 88' ' ' THR . . . -144.89 -178.4 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -142.12 129.73 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.0 tp -95.99 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 81.7 m-70 -123.4 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.1 t -142.25 123.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -139.05 135.6 34.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.802 0.334 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.07 170.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 mt -102.15 114.76 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -35.66 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttm -112.26 97.94 41.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.77 165.69 30.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.94 179.77 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -145.44 147.05 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -53.17 131.76 37.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -111.8 137.98 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -116.15 96.61 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' A' ' 26' ' ' VAL . 17.2 m -120.47 -176.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' CB ' ' HD2' ' A' ' 22' ' ' PRO . . . -113.38 166.55 10.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.8 92.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.19 -15.45 3.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.38 172.29 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.25 135.86 43.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 20' ' ' VAL . 51.8 t -104.18 136.07 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -125.68 113.56 17.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 mt -109.88 100.84 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -93.65 162.24 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -156.02 -175.14 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -135.1 156.77 48.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -142.19 137.8 31.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -63.82 -7.41 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 2.4 tpm_? -141.96 140.14 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.898 0.38 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -120.92 108.2 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -86.47 119.48 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.64 116.46 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 109.15 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.49 39.38 25.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 69.95 43.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -143.72 121.14 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.85 123.73 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mt -88.06 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -119.75 136.86 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -64.82 109.75 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' LYS . 5.9 p -146.14 163.98 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' SER . 3.0 mp0 -36.22 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -81.33 -51.28 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -107.37 114.76 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -104.49 125.94 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.7 105.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.466 HG22 ' CB ' ' A' ' 35' ' ' ALA . 30.0 p . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.797 0.332 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.72 119.14 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -115.41 128.61 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.5 ttp -126.8 159.57 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 tp -140.04 119.7 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 t -100.28 125.5 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.7 mt -109.93 76.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 mmm-85 -45.3 133.33 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.81 81.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 74' ' ' ASP . . . -92.38 100.95 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.9 m -90.27 176.55 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.21 -30.54 11.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -69.61 -46.37 66.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -43.68 -37.47 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 121.64 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.05 -168.62 37.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -100.44 129.03 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -110.79 102.83 11.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -93.65 111.84 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.19 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.2 95.91 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.05 123.27 30.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -121.01 -174.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 82' ' ' VAL . 1.4 mm-40 -32.16 -72.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.75 -25.39 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.4 174.95 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -163.74 145.0 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.9 t -133.48 166.94 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -153.3 156.17 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.99 168.86 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.4 m -126.8 120.52 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.2 tp -90.99 140.26 30.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.9 148.41 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.3 t -150.95 113.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -129.74 134.78 47.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.773 0.32 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.5 174.18 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.13 113.3 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -86.76 -36.8 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttp -107.6 97.65 20.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.77 155.57 65.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.05 177.91 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -141.85 148.16 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.68 141.68 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -117.5 145.74 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -129.61 99.35 5.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 m -127.94 -175.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.02 161.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 87.95 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.2 -12.4 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -92.35 179.62 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -106.23 149.81 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 27' ' ' GLU . 73.5 t -122.29 140.06 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' HG12 ' A' ' 26' ' ' VAL . 46.5 mt-10 -129.79 114.44 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -107.43 94.11 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.1 mtt85 -86.55 163.21 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -154.55 -176.82 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -136.28 155.02 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.4 mt -138.42 138.61 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.5 t -61.26 -19.84 62.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 28.0 ttp180 -139.41 138.74 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.812 0.339 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -110.76 106.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CE3' HD21 ' A' ' 65' ' ' LEU . 95.5 m95 -86.03 104.0 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 46' ' ' LYS . 7.7 mt -106.89 121.85 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -107.32 111.42 23.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t70 60.82 45.91 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.48 25.89 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.483 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 7.3 mmpt? -115.82 177.79 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.2 115.55 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 mt -87.73 136.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 128.66 55.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -46.64 136.3 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 4.3 t -173.65 160.89 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.0 pt20 -35.71 -42.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.53 -52.18 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -106.77 86.95 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.2 106.24 7.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.07 107.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.8 ttp -147.83 104.97 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.58 137.17 37.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 27.6 ttp -135.3 147.79 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.569 HD21 ' CE3' ' A' ' 41' ' ' TRP . 14.9 tp -131.7 107.33 8.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.0 t -81.52 145.59 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.4 mt -128.48 76.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -45.94 134.9 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.17 81.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.73 100.6 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 m -87.89 173.92 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.3 mt -50.22 -35.59 27.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -70.19 -42.39 72.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -40.05 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HA ' ' CD2' ' A' ' 91' ' ' LEU . . . -45.61 132.6 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.99 -174.87 43.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -98.64 116.77 31.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.92 114.37 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.5 m -108.03 106.85 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -82.06 78.94 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 12.6 tt0 -72.81 109.91 6.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.1 p -87.69 -176.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -31.45 -59.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.86 -38.73 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.47 ' N ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -81.17 177.02 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 6.1 pttt -165.48 146.11 7.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.8 t -111.63 -177.81 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -160.09 128.66 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.01 170.32 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -135.09 107.44 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 75' ' ' ALA . 13.6 tp -80.38 147.38 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -130.44 136.72 49.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.5 t -138.67 122.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -142.71 148.79 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.727 0.298 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.22 170.09 12.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -95.64 126.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.425 HD12 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.51 -36.89 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -109.54 104.33 55.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.4 63.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.337 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -67.55 172.31 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.54 143.35 35.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.81 135.59 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -107.69 140.62 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -121.95 96.55 5.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 26' ' ' VAL . 10.3 m -126.33 -174.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.41 161.63 22.43 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.579 0.704 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.55 -9.27 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -90.72 176.8 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.66 135.61 46.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 27' ' ' GLU . 60.8 t -109.92 135.71 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' HG13 ' A' ' 26' ' ' VAL . 40.0 mt-10 -127.55 103.84 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.22 104.02 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -98.2 155.94 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -143.6 -175.76 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -135.22 138.68 43.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.8 mt -122.29 141.29 51.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.9 t -68.66 -12.51 61.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.8 123.01 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' N ' HG21 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.41 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 3.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.882 0.373 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.5 101.02 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.567 ' CE3' HD23 ' A' ' 65' ' ' LEU . 96.4 m95 -82.61 108.41 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 mt -110.82 121.82 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -110.7 91.68 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 73.71 49.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 61.55 41.17 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -145.69 116.28 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.95 120.95 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.487 HG22 ' CD2' ' A' ' 54' ' ' TYR . 63.8 mt -80.64 140.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' N ' HG21 ' A' ' 48' ' ' ILE . 6.9 ptm180 -107.93 114.65 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -43.27 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -150.84 168.34 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 16.2 pt20 -36.07 -43.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -55.88 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.487 ' CD2' HG22 ' A' ' 48' ' ' ILE . 33.8 m-85 -106.68 108.39 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -99.68 101.09 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.69 101.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 35' ' ' ALA . 71.7 p . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.5 ttp -144.4 105.4 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.42 117.43 34.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.2 ttp -113.33 134.06 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.567 HD23 ' CE3' ' A' ' 41' ' ' TRP . 38.7 tp -116.87 102.62 9.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -78.91 142.68 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.4 mt -127.58 80.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -48.36 137.12 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.37 82.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.91 99.98 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 m -85.66 174.94 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 mt -53.04 -29.71 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' N ' ' HE3' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -71.02 -40.3 71.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.54 -35.55 53.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.38 115.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.64 -165.61 25.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.2 138.94 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -120.22 107.2 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.457 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 84.8 m -101.13 109.43 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 1.8 t -88.79 87.94 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -78.26 110.75 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.1 p -99.42 -179.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -33.17 -60.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.15 -42.05 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -75.57 -178.8 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.7 ttpp -175.22 144.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -117.23 179.01 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.0 m -163.02 128.86 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.48 -177.75 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.0 m -144.87 118.35 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.8 tp -80.51 144.81 32.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -127.27 124.55 39.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.41 114.12 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.79 130.93 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.806 0.336 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.04 170.64 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.5 mt -97.85 121.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.445 HD11 ' CA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.89 -36.54 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -108.94 98.25 28.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.942 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 158.25 57.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.14 176.26 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 28.3 mp0 -140.09 141.09 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -51.27 118.03 2.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -92.57 144.21 25.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -126.73 108.36 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.4 m -137.71 -175.99 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.29 164.04 15.66 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.66 -7.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -96.96 171.83 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -95.87 165.27 12.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.34 146.01 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.65 117.83 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 mt -111.66 98.3 7.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -92.56 148.79 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -137.8 -177.61 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -136.75 151.37 49.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CA ' HD11 ' A' ' 12' ' ' ILE . 5.2 mt -135.09 140.85 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -59.27 -24.99 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 34' ' ' ARG . 2.6 tmm_? -148.2 141.44 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG13 ' CD1' ' A' ' 41' ' ' TRP . 4.2 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.848 0.356 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -121.18 101.24 7.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.545 ' CD1' HG13 ' A' ' 39' ' ' VAL . 99.0 m95 -88.38 103.9 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.34 130.34 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -113.68 105.72 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.36 45.38 20.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 69.11 44.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -147.72 127.14 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 111.66 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -71.43 145.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 mtt85 -120.47 126.26 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.58 112.44 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 8.6 t -150.19 167.74 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 42.3 tt0 -35.35 -35.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -76.31 -56.54 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -101.21 110.75 22.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.49 96.51 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 p -89.77 120.05 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.423 ' HE2' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -153.16 112.18 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.423 ' C ' ' HE2' ' A' ' 62' ' ' MET . . . -113.97 143.96 43.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.0 ttp -140.08 158.21 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.1 tp -140.08 113.04 8.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 67' ' ' ILE . 61.7 t -86.89 147.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.429 ' N ' HG13 ' A' ' 66' ' ' VAL . 17.2 mt -129.87 88.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -61.07 136.39 58.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.42 77.7 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.71 101.32 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.9 m -94.91 173.5 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -46.05 -31.67 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -71.58 -52.91 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.18 -34.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.4 117.92 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -166.67 26.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -98.67 127.06 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -110.51 102.75 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.1 m -89.28 111.01 21.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -90.73 83.22 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -75.17 140.69 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.7 p -133.57 179.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -32.95 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.31 -40.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -76.98 -176.98 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.9 ttpt -175.97 148.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.449 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 8.7 t -123.39 158.83 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.5 m -146.57 127.75 14.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.52 -177.58 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 m -145.66 106.51 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 tp -71.77 145.2 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.73 126.54 43.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.7 t -130.27 114.09 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -128.98 142.3 50.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.339 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.49 169.45 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -98.42 126.62 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -36.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 78.9 mttt -105.75 96.42 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.78 157.16 61.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.57 176.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -142.47 154.19 44.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -60.47 127.69 32.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -102.24 150.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -131.71 95.86 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.1 m -125.81 -174.89 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' CB ' ' HD2' ' A' ' 22' ' ' PRO . . . -109.42 165.88 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.7 91.13 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.9 -4.89 3.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -91.42 168.86 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -103.77 118.06 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -93.3 141.23 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.05 111.3 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.62 107.61 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -97.16 150.75 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 63' ' ' ALA . 27.7 p -137.18 -177.63 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.8 tp10 -138.52 142.21 39.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -127.83 136.12 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -60.05 -12.76 8.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -155.39 139.65 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.886 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.559 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 3.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.559 ' NE1' ' CG1' ' A' ' 39' ' ' VAL . 91.5 m95 -85.11 115.87 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 48' ' ' ILE . 6.4 mt -117.92 144.13 45.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -122.33 87.37 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 74.93 43.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 74.69 25.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -119.97 137.19 54.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.03 115.93 12.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.423 HD13 ' C ' ' A' ' 42' ' ' LEU . 39.3 mt -89.43 144.26 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -122.77 136.46 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -55.53 131.58 46.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 p -159.17 -176.95 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -58.84 -17.03 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.61 -51.58 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -105.13 96.28 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.42 114.21 23.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -93.76 101.69 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -145.29 106.55 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.478 ' CB ' ' SG ' ' A' ' 30' ' ' CYS . . . -103.66 105.58 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 41.4 ttp -104.49 150.92 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.536 HD23 ' CE3' ' A' ' 41' ' ' TRP . 47.6 tp -132.66 99.1 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 t -80.15 126.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.9 mt -109.36 79.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' GLY . 11.7 mmt180 -46.96 139.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 35.25 80.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.46 101.01 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.94 164.78 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.02 -25.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -76.29 -42.18 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.61 -32.6 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 93' ' ' VAL . . . -51.21 122.34 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.09 -162.08 24.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -105.51 123.29 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -103.23 102.08 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.433 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 51.6 m -97.25 111.73 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.91 90.91 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -82.27 116.99 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.501 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.6 p -108.3 -174.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -30.31 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.45 -30.24 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.468 ' C ' HG13 ' A' ' 82' ' ' VAL . 2.3 t -82.61 -177.67 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.8 ttpp -176.11 147.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -124.23 166.02 16.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.6 m -146.32 138.38 25.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.62 -177.26 5.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 111.31 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.42 132.27 37.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.28 132.37 56.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.64 135.06 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -145.16 131.84 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.409 ' HB2' ' CD ' ' A' ' 83' ' ' GLU . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.799 0.333 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.39 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.3 mt -95.42 111.07 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.402 ' CD1' ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -83.76 -37.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 49.4 mttt -107.66 93.23 9.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.49 175.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -144.12 145.07 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.48 123.36 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -101.04 147.54 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -128.87 98.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.2 m -124.34 -177.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.75 163.08 17.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 90.58 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.98 -12.79 3.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.38 172.54 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.85 146.25 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.5 t -117.43 141.48 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -127.73 103.36 7.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.11 91.93 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -92.29 154.28 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -148.65 -175.74 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 4.5 tp10 -129.48 154.27 47.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mt -141.22 137.71 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -57.36 -18.6 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -139.82 153.6 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CA ' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.8 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.859 0.362 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -132.41 110.84 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.48 ' CE3' HD21 ' A' ' 65' ' ' LEU . 97.8 m95 -91.89 108.75 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.39 126.59 52.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 48' ' ' ILE . 17.8 tptp -110.13 103.75 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 57.63 45.67 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 3.9 mmm180 68.99 43.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -150.68 116.64 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 122.33 10.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 49' ' ' ARG . 49.2 mt -86.18 143.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.456 ' N ' HG21 ' A' ' 48' ' ' ILE . 7.8 ptm180 -107.64 138.79 43.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -63.0 138.97 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.1 p -174.69 166.38 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -41.92 -24.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' SER . 2.5 tppp? -84.62 -52.97 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -107.52 84.73 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.55 109.6 9.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -89.85 117.49 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.463 HG23 ' CA ' ' A' ' 35' ' ' ALA . 7.6 p . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ttp -135.01 93.77 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.97 124.6 33.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.7 ttp -125.31 148.16 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.48 HD21 ' CE3' ' A' ' 41' ' ' TRP . 40.2 tp -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.66 138.55 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.9 mt -123.17 74.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -47.17 133.14 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.61 80.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.1 99.86 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.4 m -90.93 170.38 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.8 mt -52.22 -19.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -81.16 -40.6 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.78 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.6 116.71 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.38 -165.87 27.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -98.43 131.74 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -114.43 100.55 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.458 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 38.9 m -92.07 109.99 21.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.463 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 7.1 t -88.61 91.95 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -83.75 123.04 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -112.33 -174.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -32.47 -58.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -133.24 -33.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.41 178.79 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 11.7 ttpp -169.82 149.21 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -130.38 143.49 50.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.5 m -122.55 141.4 51.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.96 -176.74 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.9 m -146.3 123.11 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -89.66 136.9 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -116.54 138.8 51.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.2 t -140.98 121.42 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -143.45 151.34 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.792 0.329 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 175.72 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.1 mt -97.92 122.09 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -89.48 -35.28 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -110.46 100.96 47.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.696 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 156.59 62.96 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.46 158.23 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -119.62 174.74 6.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -84.42 143.24 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -125.26 131.52 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.478 ' NE1' ' CD2' ' A' ' 92' ' ' HIS . 29.9 m-90 -116.46 107.34 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -130.41 -175.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.18 161.93 21.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 87.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.22 -12.24 1.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -92.39 176.44 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -100.23 155.23 17.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 27' ' ' GLU . 78.5 t -128.51 137.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' HG12 ' A' ' 26' ' ' VAL . 40.2 mt-10 -125.88 135.06 51.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mt -130.22 97.77 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 13.7 mtp180 -88.61 152.72 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 p -139.44 -176.9 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -140.47 146.56 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -130.11 131.47 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 42.3 t -54.26 -25.07 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -141.96 141.11 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' N ' HG21 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.529 HG13 ' CD1' ' A' ' 41' ' ' TRP . 3.7 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -129.9 79.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.4 m95 -61.18 112.57 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mt -113.06 128.24 56.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -113.23 103.92 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.38 45.1 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 68.82 42.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -146.41 129.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 118.74 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 41' ' ' TRP . 76.3 mt -78.93 144.58 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -106.68 164.79 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -105.42 112.31 25.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -158.81 -178.43 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -41.17 -36.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -73.46 -62.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -103.01 107.95 18.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.03 98.75 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -89.42 117.08 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.877 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 35' ' ' ALA . 68.5 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.742 0.306 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.513 ' CE ' ' C ' ' A' ' 63' ' ' ALA . 1.5 tpt -151.45 105.01 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.513 ' C ' ' CE ' ' A' ' 62' ' ' MET . . . -119.72 127.62 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.484 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 64.3 ttp -125.2 169.09 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.571 HD22 ' CE3' ' A' ' 41' ' ' TRP . 29.6 tp -143.76 108.83 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.86 138.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.512 HD11 ' CZ ' ' A' ' 78' ' ' TYR . 25.4 mt -122.51 95.95 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -63.58 133.7 54.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.08 78.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 101.88 12.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.8 m -88.76 171.97 9.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.0 mt -49.81 -38.82 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -70.37 -46.53 63.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -44.53 -33.7 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.95 117.55 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -158.36 -157.2 8.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.97 114.55 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.512 ' CZ ' HD11 ' A' ' 67' ' ' ILE . 47.8 m-85 -96.97 111.35 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.4 m -104.27 107.97 19.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.57 ' SG ' ' CE3' ' A' ' 41' ' ' TRP . 1.5 m -87.31 83.48 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.496 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 7.1 tt0 -75.99 121.0 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -102.06 -175.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.03 -68.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.76 -28.58 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.411 ' C ' HG11 ' A' ' 82' ' ' VAL . 2.1 t -88.29 -177.96 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 11.7 pttp -174.67 142.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 t -110.93 170.16 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.4 m -152.2 133.34 14.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.74 170.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 m -133.92 106.32 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.0 tp -77.43 150.45 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.478 ' CD2' ' NE1' ' A' ' 19' ' ' TRP . 89.1 m-70 -133.01 137.29 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.9 t -137.43 117.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -137.36 142.63 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.757 0.313 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' CB ' ' OG ' ' A' ' 85' ' ' SER . . . -65.54 167.38 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.6 mt -93.76 116.44 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' CD1' ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -84.96 -35.92 10.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -107.92 101.63 41.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.56 62.97 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.67 -176.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -148.77 177.5 9.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.09 126.19 34.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -100.8 137.74 38.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.407 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 3.7 m-90 -119.71 97.6 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.91 -174.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.71 163.42 17.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 89.99 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -14.09 1.84 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -89.05 168.25 12.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -100.17 130.22 46.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -100.18 145.76 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.48 114.94 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.83 99.54 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -92.98 163.72 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 p -152.35 -175.83 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -136.75 150.4 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.2 mt -132.95 132.06 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.445 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 28.9 t -56.46 -17.74 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -154.3 141.48 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.442 HG11 ' NE1' ' A' ' 41' ' ' TRP . 2.8 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.351 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -122.41 96.38 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.558 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.7 m95 -79.26 116.31 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mt -117.25 120.46 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -102.61 92.52 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 71.65 49.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 62.29 38.74 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -144.21 119.89 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.69 126.33 21.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 49' ' ' ARG . 57.5 mt -87.32 144.09 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' N ' HG22 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -110.86 133.33 53.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.82 136.91 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -172.05 161.76 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.7 tt0 -38.24 -31.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -77.58 -54.11 6.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -105.5 85.4 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.98 114.72 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.42 112.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.745 0.307 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.2 ttp -143.72 105.16 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.23 134.88 36.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.1 ttp -131.34 150.5 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.558 HD22 ' CE3' ' A' ' 41' ' ' TRP . 41.1 tp -134.67 103.01 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.18 142.1 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.507 HD11 ' CZ ' ' A' ' 78' ' ' TYR . 18.0 mt -125.39 74.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -44.67 134.83 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.12 81.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.12 100.91 13.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -91.9 166.64 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.9 mt -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -69.12 -46.84 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.53 -43.14 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.9 130.16 9.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.66 -170.19 38.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -98.15 128.75 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CZ ' HD11 ' A' ' 67' ' ' ILE . 90.7 m-85 -111.26 100.3 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -97.38 111.47 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -91.03 87.03 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -78.32 94.93 4.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.532 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.8 p -84.44 -178.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -26.83 -72.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -33.8 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.474 ' C ' HG13 ' A' ' 82' ' ' VAL . 20.3 m -78.14 -179.99 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -175.68 143.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 t -124.3 165.81 17.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 m -143.54 135.86 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.64 173.04 11.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.1 p -138.57 113.36 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.4 tp -81.72 144.15 31.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.407 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 81.5 m-70 -124.68 145.04 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.5 t -144.35 121.72 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -136.96 137.34 39.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.802 0.334 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -57.94 171.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.4 mt -97.99 123.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -92.0 -35.77 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -109.63 102.4 49.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.04 61.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.28 178.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -146.38 145.38 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.0 127.38 23.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -104.23 135.18 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 10.1 m-90 -121.94 103.08 8.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 m -129.0 -174.76 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.31 162.49 19.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 88.26 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.58 -10.94 2.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -90.89 174.12 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.36 137.79 41.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -109.38 136.01 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -126.8 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mt -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 27.2 mtm105 -97.16 146.05 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -135.19 -175.51 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -138.15 136.68 36.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.6 mt -121.42 134.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 14.9 t -56.39 -19.53 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.437 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 16.1 ttm180 -144.7 138.82 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' CB ' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.561 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 9.8 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -100.74 96.45 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.561 ' NE1' ' CG1' ' A' ' 39' ' ' VAL . 96.3 m95 -77.74 112.92 15.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.02 118.27 33.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -107.39 102.57 11.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 63.43 47.45 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 62.16 45.1 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -149.21 116.99 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.23 124.52 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.9 mt -87.61 138.47 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -111.78 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -51.32 125.23 13.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 52' ' ' GLN . 59.5 p -161.13 171.54 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.4 tt0 -37.7 -43.06 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -67.78 -57.93 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -100.13 117.2 33.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.26 95.24 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.53 107.25 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.411 HG23 ' CB ' ' A' ' 35' ' ' ALA . 73.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.834 0.35 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 ttp -153.31 114.85 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.87 110.09 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.7 ttp -109.5 128.28 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.407 HD23 ' CE3' ' A' ' 41' ' ' TRP . 29.6 tp -111.93 102.7 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.14 118.91 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.6 mt -104.6 79.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -46.71 140.66 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.72 82.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.14 100.12 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.0 m -89.09 168.71 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.1 mt -43.12 -42.36 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.42 -52.05 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.71 -37.7 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.96 119.95 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.44 -167.23 30.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -96.25 133.63 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -116.49 100.32 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.9 m -97.46 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.37 90.25 7.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.14 113.91 19.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.8 p -108.58 -177.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.2 -73.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.65 -34.0 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -81.88 176.48 9.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.476 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 6.3 ttpt -175.59 147.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.476 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 19.4 t -122.39 174.58 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.4 m -155.35 132.62 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.82 170.4 15.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -133.95 122.69 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -85.16 146.66 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.506 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 73.2 m-70 -128.54 133.39 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.35 118.29 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.59 132.77 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.798 0.333 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.28 155.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.403 ' H ' ' CB ' ' A' ' 85' ' ' SER . 11.7 mt -93.59 119.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -95.04 -36.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 46.2 mttm -107.37 95.96 14.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.7 158.82 55.7 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.4 -177.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 42.9 mp0 -144.42 148.24 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -56.6 120.21 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -101.86 137.34 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.551 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 29.8 m-90 -120.08 104.07 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -127.94 -177.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.79 162.02 21.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 87.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.71 -11.32 1.7 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -91.69 170.4 9.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.811 0.338 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.3 143.56 26.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.41 135.49 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -129.57 120.45 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mt -116.31 100.43 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -93.59 150.98 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -141.33 -175.09 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 2.8 tp10 -136.56 150.26 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.2 mt -133.64 143.99 48.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -57.21 -33.64 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' CG ' ' HB2' ' A' ' 9' ' ' ALA . 5.3 ptm180 -142.69 146.49 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.461 ' CA ' HG22 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 6.0 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.863 0.363 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -112.03 105.01 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.492 ' NE1' ' CG1' ' A' ' 39' ' ' VAL . 84.5 m95 -85.84 115.67 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -118.03 119.26 34.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -98.84 95.04 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.87 53.72 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 64.45 46.4 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -148.84 117.94 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.87 122.26 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 49' ' ' ARG . 52.8 mt -84.09 141.69 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' N ' HG23 ' A' ' 48' ' ' ILE . 44.4 mtt85 -104.13 146.28 28.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 16.0 ttmt -84.03 124.45 31.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 53' ' ' LYS . 20.6 p -163.79 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -38.81 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -81.43 -63.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -99.26 112.64 24.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -103.68 100.44 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -98.54 105.23 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.461 HG22 ' CA ' ' A' ' 35' ' ' ALA . 73.3 p . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.792 0.329 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.1 ttp -134.82 95.6 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.01 124.3 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.7 ttp -128.81 149.49 50.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 41' ' ' TRP . 18.9 tp -132.89 116.85 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.6 t -96.85 140.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.9 mt -125.4 86.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -50.03 135.02 21.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.89 82.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.24 100.63 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -81.96 167.18 19.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.5 mt -44.08 -38.74 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptp? -63.65 -50.13 70.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' LYS . 1.1 m-20 -36.28 -41.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.37 143.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.17 178.11 35.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.46 119.8 31.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.94 99.69 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -89.81 110.33 21.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.93 81.32 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.53 128.34 35.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -127.87 -174.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -32.21 -72.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.67 -27.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.4 m -80.69 172.27 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 85' ' ' SER . 26.3 mtmt -162.92 148.51 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 t -140.14 145.03 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -154.66 142.34 19.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -104.7 117.98 35.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.1 tp -90.97 133.66 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 55.9 m-70 -116.71 126.7 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.5 t -127.34 108.96 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -139.9 137.8 35.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.794 0.331 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.23 168.28 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.7 mt -95.99 126.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -35.57 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 98.0 mttt -110.34 98.36 35.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 156.4 63.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.88 176.46 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -141.88 142.9 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -44.31 143.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.52 140.05 51.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.713 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 11.6 m-90 -126.15 99.53 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.94 -175.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.2 161.38 23.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.355 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -8.53 1.64 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -93.01 175.14 6.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -102.73 143.3 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.5 t -119.29 145.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -135.58 118.78 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.7 mt -111.4 95.8 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -90.31 152.52 21.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -140.82 -179.08 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.426 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tp10 -132.92 140.29 47.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mt -126.39 140.5 52.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -64.44 -11.18 30.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -153.35 132.16 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' HG21 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.846 0.355 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -106.64 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.568 ' CE3' HD21 ' A' ' 65' ' ' LEU . 96.3 m95 -87.38 118.83 27.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -119.24 131.95 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 8.9 tttm -114.48 104.69 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 18.8 m-20 63.64 45.12 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 44' ' ' ASP . 1.5 mtm105 68.91 26.33 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 9.2 ptpt -114.03 159.6 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.28 114.94 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 49' ' ' ARG . 25.3 mt -90.78 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' N ' HG22 ' A' ' 48' ' ' ILE . 60.0 mtt180 -124.5 131.61 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -50.76 119.22 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -150.3 169.89 20.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -93.73 99.78 12.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 108.42 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.55 110.46 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 35' ' ' ALA . 41.3 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.798 0.333 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.2 ttp -149.26 106.02 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.19 104.28 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.0 ttp -109.02 138.96 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 41' ' ' TRP . 15.6 tp -122.14 106.72 11.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.61 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.6 mt -111.87 74.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -44.45 138.2 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.98 81.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.82 102.09 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.6 m -96.67 169.46 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.418 ' N ' HG12 ' A' ' 93' ' ' VAL . 42.1 mt -40.01 -38.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -63.24 -54.88 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -40.14 -42.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.95 119.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.43 169.1 41.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.78 128.22 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.77 110.3 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.487 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.2 m -103.77 111.6 24.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.517 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -88.76 84.11 6.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.37 104.06 4.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 83' ' ' GLU . 3.2 p -93.98 177.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -29.2 -69.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.97 -38.83 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 m -77.72 -175.87 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.487 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 17.7 ttpt -176.27 142.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -114.92 168.35 9.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 m -152.75 124.5 7.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.204 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.12 158.33 44.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.9 t -118.09 132.8 56.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.67 138.85 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.713 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 37.4 m-70 -117.4 142.24 47.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 72' ' ' LEU . 72.6 t -140.5 116.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -138.75 131.95 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -101.5 100.86 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.906 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -81.41 166.3 20.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.76 105.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -38.79 138.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -51.76 144.02 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.73 84.92 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.49 2.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.3 23.32 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -57.71 166.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -95.25 118.64 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -36.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 97.4 mttt -106.33 96.03 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.73 157.29 60.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.99 -176.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 32.4 mt-10 -148.51 166.5 28.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -69.61 121.82 17.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 16' ' ' GLU . 1.8 mp0 -103.73 142.46 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -122.48 107.05 11.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 m -132.12 -175.52 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.06 162.0 21.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 94' ' ' GLU . 54.3 Cg_endo -69.71 85.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.89 -6.83 1.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -92.82 164.23 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.97 132.33 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.25 136.71 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.44 113.01 15.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.62 98.91 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -91.48 163.45 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 p -152.52 -176.4 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.5 tp10 -137.46 138.51 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.76 144.58 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -63.8 -9.17 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -157.56 152.33 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.44 173.98 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.18 46.78 90.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 38' ' ' PRO . 85.8 m -126.68 138.23 32.07 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.105 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 37' ' ' THR . 53.9 Cg_endo -69.81 147.79 63.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.22 160.73 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -134.83 107.15 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -87.91 112.45 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -109.63 116.8 32.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' CE ' ' O ' ' A' ' 74' ' ' ASP . 1.8 tmtt? -111.59 113.52 25.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' CG ' ' HD3' ' A' ' 43' ' ' LYS . 85.1 m-20 63.61 41.08 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 63.8 31.54 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -129.62 136.91 50.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.03 124.03 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.524 ' CG2' ' CD2' ' A' ' 54' ' ' TYR . 24.1 mt -93.9 153.66 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -125.08 126.12 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -51.28 119.38 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 57.7 p -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.7 tp60 -35.73 -50.05 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.19 -62.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.524 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 48.0 m-85 -93.18 106.98 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -100.21 96.96 7.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.4 t -73.96 100.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t -99.65 91.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 32.6 t -90.56 94.49 9.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 60' ' ' GLY . 6.4 mm-40 -105.74 -174.99 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' THR . . . -37.24 104.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLY . 34.6 p 36.99 42.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -145.5 121.88 10.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.41 105.89 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.4 ttp -107.95 142.32 38.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.8 tp -126.05 109.48 12.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 t -87.4 121.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.43 HD12 ' CZ ' ' A' ' 78' ' ' TYR . 16.6 mt -106.78 74.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -43.16 135.93 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.96 82.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 101.97 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 m -84.13 169.6 14.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 mt -49.25 -28.42 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -75.17 -43.94 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' O ' ' CE ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -44.58 -24.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.15 123.14 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.46 37.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -93.18 109.25 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.394 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CZ ' HD12 ' A' ' 67' ' ' ILE . 52.5 m-85 -89.29 113.08 24.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.3 m -108.47 107.81 18.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 t -81.31 87.32 6.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.93 99.8 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.9 p -96.22 -177.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -30.97 -71.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.45 -30.98 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.1 t -73.71 179.05 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 17.7 mtmm -166.83 140.87 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.5 t -131.42 134.88 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 89' ' ' ALA . 11.8 m -119.49 146.39 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' N ' HG22 ' A' ' 88' ' ' THR . . . -154.76 169.45 23.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -127.59 120.08 27.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.8 tp -88.66 146.49 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -125.12 151.0 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.2 t -157.38 112.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.411 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 38.4 mt-10 -134.35 144.07 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.51 148.92 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -86.58 155.33 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.07 81.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -93.76 110.28 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -169.52 -165.52 27.03 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -20.22 35.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.8 p -168.09 164.84 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.7 p -139.04 152.99 48.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -147.15 125.21 12.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 p -43.92 155.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.63 -159.5 18.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -88.52 158.77 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -99.59 129.29 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.24 86.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 157.66 59.75 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.41 21.03 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -47.8 164.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.0 mt -97.31 130.29 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.78 -35.97 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 63.2 mttm -109.77 97.14 27.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.535 0.684 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.9 Cg_endo -69.7 162.66 41.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.82 172.82 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -138.18 146.78 43.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.23 126.81 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -98.66 147.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.464 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 5.0 m-90 -131.33 95.54 3.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.68 -176.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.7 164.48 14.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 87.62 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.63 -10.98 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.53 176.24 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -100.97 148.71 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.39 147.97 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.06 125.4 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -121.89 90.29 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 29' ' ' ARG . 17.0 mtm105 -88.58 151.96 22.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 p -141.26 -175.94 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 14.6 tt0 -135.1 144.91 47.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mt -131.6 131.87 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -51.23 -28.71 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.86 143.52 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' CB ' HG21 ' A' ' 61' ' ' THR . . . -96.54 125.77 41.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.33 -27.44 2.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.553 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -79.22 124.08 84.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.595 0.712 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.36 60.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.27 . . . . 0.0 112.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.541 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 4.0 p -101.44 146.86 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -106.41 106.22 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.541 ' NE1' ' CG1' ' A' ' 39' ' ' VAL . 94.8 m95 -88.68 107.94 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.19 119.87 40.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -108.12 102.0 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.99 51.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 57.38 45.69 19.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -149.71 122.15 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 125.73 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.6 mt -88.54 148.43 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -111.96 133.46 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -64.87 111.27 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.6 t -154.42 169.4 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.5 pt20 -34.51 -36.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 74' ' ' ASP . 18.5 tptp -70.0 -59.78 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -109.22 122.13 46.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.62 113.99 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.03 103.23 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -103.55 99.94 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 39.8 t -110.59 100.91 9.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 60' ' ' GLY . 12.8 mm-40 -145.14 153.69 41.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 37.19 54.54 1.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.433 HG21 ' CB ' ' A' ' 35' ' ' ALA . 52.5 p 49.58 46.01 23.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.778 0.323 . . . . 0.0 111.087 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.7 ttp -142.91 105.09 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.01 114.11 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.8 ttp -117.78 137.11 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.434 HD21 ' CE3' ' A' ' 41' ' ' TRP . 53.6 tp -119.62 101.01 7.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -81.71 129.15 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.403 HG22 ' NZ ' ' A' ' 53' ' ' LYS . 14.0 mt -117.16 86.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -56.36 135.72 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.25 81.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.47 102.04 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.6 m -83.14 167.98 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.9 mt -53.99 -23.78 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -83.73 -36.23 23.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 53' ' ' LYS . 2.8 m-20 -51.35 -22.14 2.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 120.38 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.2 -172.73 33.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -98.98 130.62 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -111.81 112.02 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.0 m -100.48 108.09 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.25 77.45 9.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.02 116.65 8.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.3 p -109.65 -178.4 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.13 -69.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.1 -32.33 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.455 ' C ' HG13 ' A' ' 82' ' ' VAL . 2.1 t -73.06 -175.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -166.42 147.01 6.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -134.82 128.62 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -115.8 148.0 40.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -159.14 163.21 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -126.09 131.0 52.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -97.45 137.11 36.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.464 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 79.4 m-70 -117.58 144.93 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.1 t -141.06 107.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -132.38 136.73 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -83.31 170.11 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' O ' ' CD ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -102.12 -11.48 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.8 157.7 29.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 t -75.18 132.17 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.16 -179.28 39.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 89.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 0.0 112.39 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.8 m 49.11 39.17 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.9 m -106.94 156.83 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 m -81.11 100.89 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -94.95 134.13 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.95 -93.92 0.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -145.09 127.2 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -84.17 89.75 7.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.52 -97.04 2.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.86 65.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' C ' ' OE2' ' A' ' 83' ' ' GLU . . . -84.38 44.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -71.51 169.73 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 65.2 mt -97.04 106.84 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -37.73 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 68.5 mttt -105.66 93.75 7.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.907 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.79 155.88 64.72 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 28' ' ' LEU . 16.5 mt -62.09 176.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -144.29 162.81 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.4 127.09 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -103.03 149.48 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.566 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 8.9 m-90 -133.0 97.29 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG21 ' CG2' ' A' ' 26' ' ' VAL . 13.2 m -128.31 -176.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.1 161.19 23.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.08 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.349 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.8 -11.32 1.09 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -90.6 178.45 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.86 125.43 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' ' 20' ' ' VAL . 91.0 t -94.25 144.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.05 107.8 7.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 11.9 mt -98.69 96.9 8.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 26.4 mtm105 -92.84 143.19 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -135.36 -175.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -135.83 147.92 48.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' CG2' ' A' ' 61' ' ' THR . 3.4 mt -133.03 132.41 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.0 t -57.57 -15.02 6.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -154.73 140.96 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.03 -175.97 6.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 57.39 46.95 91.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.0 m -128.45 137.37 30.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.621 0.724 . . . . 0.0 111.09 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 144.56 54.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.01 148.77 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -124.52 102.31 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.28 112.49 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.14 125.73 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.432 ' HB2' ' CD1' ' A' ' 48' ' ' ILE . 9.0 tttm -110.48 90.46 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 72.44 51.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 63.52 38.88 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -143.06 129.1 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.7 119.18 12.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.466 HG21 ' CD2' ' A' ' 54' ' ' TYR . 62.4 mt -81.76 136.56 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 124.28 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -55.3 110.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 39.6 p -149.39 172.53 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.5 mt-30 -37.5 -41.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -69.06 -54.85 12.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CD2' HG21 ' A' ' 48' ' ' ILE . 46.4 m-85 -102.42 113.9 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.43 93.08 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.2 t -71.62 94.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.88 132.47 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.4 t -130.73 91.1 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -108.58 79.93 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.55 -114.3 3.97 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.5 p -105.71 40.7 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -146.05 109.04 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.24 115.61 30.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.0 ttp -115.38 129.53 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -113.92 101.21 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.2 t -76.17 137.68 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.507 HD13 ' CZ ' ' A' ' 78' ' ' TYR . 18.6 mt -121.51 81.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -51.11 139.11 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.02 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.55 100.98 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -92.3 167.25 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 mt -39.84 -38.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -61.08 -47.37 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.78 -38.76 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 91' ' ' LEU . . . -47.27 116.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.92 -166.11 30.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -99.03 130.43 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 95.2 m-85 -108.19 100.12 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.422 ' CG2' ' HD3' ' A' ' 86' ' ' LYS . 99.6 m -94.42 111.67 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.3 t -91.92 94.81 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -81.82 99.69 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.8 p -91.42 179.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.3 -70.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.36 -28.3 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 m -81.44 -179.15 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HD3' ' CG2' ' A' ' 79' ' ' THR . 13.8 ttmt -160.16 159.71 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 t -144.32 128.17 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.4 m -117.13 145.27 43.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.78 165.38 36.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.5 p -125.66 123.12 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 75' ' ' ALA . 11.6 tp -91.95 144.37 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 71.4 m-70 -125.72 134.16 51.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.7 t -135.87 106.86 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -123.57 130.88 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' LYS . 16.8 tt0 -77.36 146.76 36.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' GLU . 17.1 ptmt -35.56 129.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.64 88.68 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t -112.77 -47.18 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.56 153.34 46.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 m -123.46 129.15 50.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.2 m -96.17 149.6 21.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 42.33 41.97 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -148.97 173.53 13.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.1 -122.1 1.05 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -115.65 161.92 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.5 162.43 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.04 -160.5 13.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 147.2 61.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 34' ' ' ARG . . . -118.22 40.86 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 178.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 57.2 mt -100.58 121.2 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' CD1' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.33 -36.1 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -115.43 110.2 45.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.65 59.68 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.1 175.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -139.48 162.27 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 4.9 p30 -76.54 123.34 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -104.35 140.01 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 9.7 m-90 -120.21 110.36 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 26' ' ' VAL . 22.1 m -133.41 -175.07 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.35 162.8 18.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 95' ' ' GLU . 53.5 Cg_endo -69.82 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.11 -10.15 0.99 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.84 -178.45 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -114.38 124.5 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 20' ' ' VAL . 55.7 t -88.06 152.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -140.83 110.4 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mt -105.07 98.44 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -95.66 156.56 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -148.08 -175.03 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.522 ' OE2' ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -132.68 133.58 43.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 3.0 mt -118.09 132.91 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.462 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 10.2 p -52.7 -22.25 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 66.2 ttt-85 -143.23 132.55 23.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.07 176.6 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.46 60.47 5.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 m -130.63 136.82 29.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.558 0.694 . . . . 0.0 111.139 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.0 49.34 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -124.28 163.85 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -132.31 93.63 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CE3' HD23 ' A' ' 65' ' ' LEU . 95.7 m95 -77.92 109.82 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.8 mt -109.99 127.88 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 48' ' ' ILE . 10.3 tmtt? -116.46 102.93 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.74 45.51 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 65.92 41.67 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -143.22 129.14 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.66 112.66 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.075 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.627 ' CG2' ' CD2' ' A' ' 54' ' ' TYR . 22.3 mt -78.87 161.05 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -125.05 164.4 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -85.29 127.3 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -168.24 -179.73 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.61 -42.28 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -68.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 24.6 m-85 -95.49 110.67 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -106.02 111.81 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -82.18 118.69 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t -122.37 81.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 37.8 t -99.99 89.05 3.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CD ' ' C ' ' A' ' 58' ' ' CYS . 6.3 mp0 -133.08 158.4 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 32.86 67.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 40.41 46.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.0 ttp -146.55 108.15 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.72 106.85 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 32.8 ttp -112.16 138.96 48.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.557 HD23 ' CE3' ' A' ' 41' ' ' TRP . 29.8 tp -120.6 100.2 6.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.84 142.21 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.431 ' CG2' ' OD1' ' A' ' 74' ' ' ASP . 41.0 mt -126.84 90.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -57.1 129.61 42.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.24 74.41 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.9 99.98 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.0 m -90.95 167.43 12.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' HA ' ' CG1' ' A' ' 93' ' ' VAL . 22.9 mt -41.98 -34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' ASP . 15.0 ttpt -66.53 -53.4 35.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' LYS . 1.1 t70 -34.26 -46.62 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.59 117.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.91 37.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.54 99.11 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -88.11 115.41 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 100.0 m -106.52 103.9 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.97 89.64 5.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.27 110.64 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.501 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.5 p -91.2 -179.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -28.8 -67.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.01 -42.9 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.456 ' C ' HG13 ' A' ' 82' ' ' VAL . 1.7 m -74.95 177.74 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.12 128.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.5 t -108.79 161.38 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.5 m -138.55 134.06 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.56 -176.88 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.0 t -141.92 129.25 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -94.21 138.82 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.627 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 67.3 m-70 -118.47 145.29 45.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -155.61 131.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.421 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 37.3 mt-10 -145.35 140.88 28.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.462 ' HA ' ' CD ' ' A' ' 22' ' ' PRO . 10.0 tm-20 -74.23 156.7 36.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -79.7 80.16 6.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.06 113.06 13.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -109.22 82.38 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.34 -172.03 22.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.557 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.79 3.12 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.3 t 66.6 42.09 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.6 p -112.87 160.57 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -73.08 98.3 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -103.05 95.71 6.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.32 -77.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -96.65 154.06 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -130.65 127.02 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.51 172.14 13.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.456 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 172.76 12.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.68 23.48 12.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.02 -179.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 41.3 mt -107.84 113.49 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -87.38 -36.63 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 69.0 mttt -108.5 96.81 20.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.526 0.679 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.5 Cg_endo -69.68 155.0 67.37 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.82 167.79 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -133.98 154.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.59 139.86 58.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -118.77 141.29 48.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 -121.9 103.5 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 HG21 ' CG2' ' A' ' 26' ' ' VAL . 20.9 m -130.38 -178.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.36 164.45 14.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 94' ' ' GLU . 54.3 Cg_endo -69.77 92.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.33 -8.87 3.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -91.71 171.59 9.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -100.08 149.41 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.403 ' CG2' HG21 ' A' ' 20' ' ' VAL . 73.0 t -125.0 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.95 106.13 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mt -98.01 101.37 12.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -94.66 162.81 13.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -153.07 179.23 8.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.89 141.01 47.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -127.72 142.21 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -60.13 -13.95 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 35' ' ' ALA . 20.8 ttm180 -159.14 147.41 17.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 61' ' ' THR . . . -82.04 -176.59 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.03 -55.66 4.93 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.3 m -52.22 110.59 1.97 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 111.082 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 144.89 55.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG13 ' CD1' ' A' ' 41' ' ' TRP . 5.8 p -96.84 147.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -105.94 100.64 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.47 ' CE3' HD23 ' A' ' 65' ' ' LEU . 97.9 m95 -81.19 111.14 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 mt -113.53 127.51 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -107.3 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.06 48.0 18.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 66.88 42.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -144.77 107.06 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.47 127.85 16.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 49' ' ' ARG . 43.5 mt -92.01 146.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.462 ' N ' HG21 ' A' ' 48' ' ' ILE . 45.9 mtp180 -116.38 120.35 38.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.47 130.72 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.8 t -170.88 170.93 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' SER . 39.2 tp60 -37.34 -42.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.75 -66.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.427 ' CD2' HG22 ' A' ' 48' ' ' ILE . 33.1 m-85 -97.34 101.13 12.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.46 104.25 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 t -82.32 108.17 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 t -108.51 106.68 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.0 t -112.09 93.76 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.85 80.37 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' C ' ' HB1' ' A' ' 35' ' ' ALA . . . 79.11 -115.49 4.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 35' ' ' ALA . 32.3 p -97.89 39.8 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 111.181 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -144.52 119.19 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.96 107.4 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 48.4 ttp -108.84 153.91 22.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD23 ' CE3' ' A' ' 41' ' ' TRP . 20.3 tp -138.41 109.67 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.8 125.92 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.29 77.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.25 134.86 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.18 82.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 100.71 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.3 m -80.66 157.88 25.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -38.69 -37.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -63.24 -42.7 99.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -46.15 -40.88 11.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.47 116.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.92 -171.84 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.61 142.19 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -121.43 105.24 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.4 m -96.5 111.52 23.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.75 87.4 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.49 121.15 16.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.9 p -109.77 178.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.52 -71.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.66 -31.83 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -78.9 -174.51 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -159.37 162.85 35.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -151.01 142.36 23.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -131.37 156.09 46.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.41 -176.63 5.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -144.27 111.84 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.9 tp -91.65 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -118.89 137.86 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.6 t -140.12 109.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 11.0 mt-10 -125.36 140.2 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -78.39 140.12 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -89.98 161.79 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.99 -178.09 6.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -132.57 46.7 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.33 -179.18 22.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.52 60.07 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.8 p -159.39 151.9 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 m -66.6 136.48 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -57.43 -54.22 49.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p -100.31 142.07 32.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.48 -171.8 20.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -149.04 152.82 36.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -106.01 89.74 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.78 78.17 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . . . -111.83 13.66 20.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -36.76 154.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mt -93.16 111.53 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.6 -36.09 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 35.2 mttp -106.99 95.84 13.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.98 177.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -147.32 149.56 33.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.483 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 5.8 m-20 -53.74 126.8 23.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -104.29 131.8 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -108.68 102.08 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 m -128.91 -175.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.61 165.19 13.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 92.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.286 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.66 -13.39 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.6 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -102.42 130.22 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.11 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -129.97 118.41 21.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.6 mt -110.68 90.63 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -82.08 161.06 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -149.64 -175.16 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' CD ' ' HD2' ' A' ' 13' ' ' LYS . 7.2 tt0 -143.63 140.34 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.32 144.73 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -55.5 -27.49 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 9' ' ' ALA . 15.0 ptt180 -147.21 158.12 43.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.36 -176.66 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.53 40.59 98.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.482 ' CG2' ' OE2' ' A' ' 83' ' ' GLU . 17.1 m -132.5 126.56 20.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 111.156 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 149.65 67.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.44 HG12 ' NE1' ' A' ' 41' ' ' TRP . 5.5 p -119.81 165.79 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -133.56 116.82 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.44 ' NE1' HG12 ' A' ' 39' ' ' VAL . 90.1 m95 -98.89 114.75 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mt -114.78 119.41 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -108.33 102.62 11.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 63.05 53.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.23 45.93 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -147.35 117.69 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.47 129.0 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.6 mt -93.28 144.23 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -119.14 116.41 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -38.74 137.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 52' ' ' GLN . 54.5 p -169.88 166.01 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.4 tp-100 -35.08 -38.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -72.01 -68.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -87.99 119.85 28.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -110.23 109.37 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.42 99.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.42 127.63 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.2 t -126.58 93.69 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -101.21 48.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.43 -112.76 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 p -89.52 37.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.335 . . . . 0.0 111.161 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.4 ttp -153.13 119.6 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.61 116.64 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.1 ttp -115.61 146.26 41.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.9 tp -128.78 103.86 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 t -81.18 134.05 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.402 ' CG2' ' OD2' ' A' ' 74' ' ' ASP . 19.4 mt -118.49 76.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLY . 16.4 mmm180 -44.97 140.25 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 37.73 77.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 100.47 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -80.95 159.68 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.3 mt -40.11 -35.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -66.67 -46.7 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.402 ' OD2' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -39.23 -36.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB1' ' CG1' ' A' ' 93' ' ' VAL . . . -51.51 123.36 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.5 -167.51 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -104.64 130.46 52.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.95 108.31 17.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 m -93.96 110.07 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.93 95.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -88.13 124.51 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -126.81 -174.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.74 -72.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.6 -26.25 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.66 167.28 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -155.58 140.65 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 t -127.29 153.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 m -141.65 146.41 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.75 178.79 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 52.7 p -141.58 120.71 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.8 tp -84.07 138.08 33.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.483 ' CD2' ' HB3' ' A' ' 17' ' ' ASP . 85.4 m-70 -119.29 133.47 55.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.454 ' CG1' ' HB1' ' A' ' 75' ' ' ALA . 1.2 p -140.96 136.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -153.71 138.65 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -84.04 149.34 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -85.16 -177.26 6.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -156.87 155.5 31.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 p -83.92 112.73 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.2 179.4 35.91 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 103' ' ' GLY . 53.7 Cg_endo -69.77 -4.17 13.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' PRO . 95.7 p -35.61 125.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t 48.12 37.7 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 100' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -97.09 136.9 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -167.51 123.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.79 -112.57 2.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -84.24 134.86 34.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -99.12 129.3 45.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.12 -167.06 33.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 157.51 60.14 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.62 2.214 . . . . 0.0 112.396 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.479 ' CB ' ' HG2' ' A' ' 34' ' ' ARG . . . -85.86 24.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.7 158.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.465 ' CD1' ' HB ' ' A' ' 82' ' ' VAL . 28.6 mt -96.21 118.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.36 -37.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 45.0 mttm -104.91 94.75 7.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 2.288 . . . . 0.0 112.365 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.5 -179.48 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -145.16 179.95 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.42 128.77 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -106.54 139.24 41.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.536 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 7.9 m-90 -123.53 105.59 9.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.92 -175.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.68 159.01 30.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.721 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 86.72 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.66 -12.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.36 170.72 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -97.01 150.5 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.499 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 92.8 t -125.13 141.88 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' HG12 ' A' ' 26' ' ' VAL . 52.5 mt-10 -129.44 127.41 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.86 104.85 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -100.38 149.27 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 p -134.27 -175.2 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.1 tp10 -137.6 134.27 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -121.17 133.33 55.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -46.8 -36.43 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.479 ' HG2' ' CB ' ' A' ' 9' ' ' ALA . 4.6 ptt180 -139.43 146.47 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.63 39.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.28 55.02 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.454 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 52.7 m -167.51 132.14 1.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.545 0.688 . . . . 0.0 111.113 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.42 24.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.242 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.3 p -124.02 153.49 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -120.95 109.94 15.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.526 ' CE3' HD21 ' A' ' 65' ' ' LEU . 96.3 m95 -91.06 112.61 24.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mt -116.69 114.13 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.68 105.82 16.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 58.81 50.31 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 60.48 42.12 14.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -146.24 114.31 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.79 132.37 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.423 HG21 ' CD2' ' A' ' 54' ' ' TYR . 45.1 mt -93.62 138.24 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -112.91 116.0 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -42.37 115.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -149.85 172.8 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -45.97 -24.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -84.77 -55.68 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' CD2' HG21 ' A' ' 48' ' ' ILE . 49.1 m-85 -103.19 104.04 14.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -96.08 106.78 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 t -86.39 115.02 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.8 t -119.73 98.45 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.4 t -105.04 103.4 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' GLY . 4.4 mm-40 -138.07 143.4 40.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.85 75.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.2 p 39.54 42.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -139.74 105.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.94 103.51 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 47.5 ttp -102.6 148.75 25.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.526 HD21 ' CE3' ' A' ' 41' ' ' TRP . 17.6 tp -134.37 104.08 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.35 136.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mt -119.96 77.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -52.48 134.66 34.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.16 81.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 100.87 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ASP . 2.9 p -84.85 159.99 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.1 mt -39.52 -34.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.426 ' CG ' ' N ' ' A' ' 74' ' ' ASP . 19.2 pttt -69.85 -43.15 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.1 m-20 -42.56 -32.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . . . -55.42 119.36 5.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.36 -171.52 34.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -95.76 126.49 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.95 105.26 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.2 m -99.53 112.43 24.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 35.0 t -90.72 91.01 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -79.76 118.39 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.521 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.9 p -112.43 179.13 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.521 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.53 -72.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -34.01 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -80.68 -174.66 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.5 ttpt -175.69 149.44 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 t -123.44 162.03 23.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -144.58 130.66 19.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.99 -178.71 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.9 m -148.68 107.63 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.536 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 98.3 m-70 -127.71 141.13 51.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -147.8 132.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -143.69 131.61 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -82.35 157.82 23.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -74.76 135.2 41.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.0 125.36 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 t -71.8 79.19 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.59 158.89 9.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.82 18.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.6 m -106.36 99.08 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.9 p -63.68 -52.11 62.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.525 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m -112.77 41.21 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.792 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -91.42 129.4 37.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.88 -140.77 16.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 m -56.88 87.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.372 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -81.95 144.99 30.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.26 129.12 9.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.432 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 157.64 59.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.91 32.48 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.55 174.79 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.5 mt -102.93 133.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -106.7 -35.44 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 32.9 mttm -110.83 97.35 33.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.77 155.53 65.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.364 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.67 -176.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -152.18 141.39 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -46.28 133.43 9.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -112.38 142.47 44.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -122.71 97.96 5.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -122.65 -176.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.28 162.44 19.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 111.07 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 89.45 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.12 -12.02 2.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.89 179.14 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.44 127.74 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.82 139.63 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -129.7 120.02 24.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.6 mt -111.88 88.91 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -86.35 151.77 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -145.2 -176.57 5.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 24.3 tt0 -132.47 140.97 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 mt -126.94 135.54 51.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -54.05 -24.02 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.409 ' C ' HG22 ' A' ' 61' ' ' THR . 27.4 ttt180 -136.7 135.09 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 61' ' ' THR . . . -76.9 -177.16 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.65 31.06 29.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.434 ' CG2' ' CD ' ' A' ' 83' ' ' GLU . 49.6 m -113.96 125.52 29.3 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.549 0.69 . . . . 0.0 111.162 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.33 67.93 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.41 HG12 ' NE1' ' A' ' 41' ' ' TRP . 7.8 p -117.74 160.37 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -116.98 103.09 9.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.565 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 95.9 m95 -86.22 105.16 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mt -104.88 122.77 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HB2' ' CD1' ' A' ' 48' ' ' ILE . 16.2 tttm -107.11 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 65.35 47.89 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 66.92 31.41 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -137.75 114.02 10.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.41 121.4 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 53.0 mt -81.84 143.68 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -109.17 133.16 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -56.92 118.02 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 52' ' ' GLN . 3.2 m -153.06 162.93 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' SER . 34.7 mm-40 -34.61 -42.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.01 -54.66 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -103.98 105.04 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.83 113.17 25.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.0 t -79.08 110.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.497 ' CG1' ' OE2' ' A' ' 59' ' ' GLU . 61.6 t -111.49 143.07 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.461 ' N ' HG11 ' A' ' 57' ' ' VAL . 23.7 t -150.49 113.47 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.497 ' OE2' ' CG1' ' A' ' 57' ' ' VAL . 37.6 mp0 -132.14 98.85 4.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 49.62 90.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 35' ' ' ALA . 72.1 p 44.08 36.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -134.86 89.3 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.95 121.18 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.4 ttp -126.85 133.83 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 41' ' ' TRP . 33.2 tp -113.48 105.1 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.28 141.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.481 HD12 ' CZ ' ' A' ' 78' ' ' TYR . 34.7 mt -125.41 82.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.1 129.73 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 42.1 78.28 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.11 102.31 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -84.33 160.15 20.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.8 mt -39.74 -33.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.15 -52.8 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' OD2' ' CG2' ' A' ' 67' ' ' ILE . 1.6 t70 -38.87 -31.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.471 ' CB ' HG11 ' A' ' 93' ' ' VAL . . . -54.42 118.4 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.54 -143.72 3.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -126.14 120.39 30.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.481 ' CZ ' HD12 ' A' ' 67' ' ' ILE . 88.0 m-85 -103.69 112.26 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 87' ' ' SER . 45.2 m -108.27 107.85 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.565 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -84.4 86.14 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 8.6 tt0 -80.13 104.88 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.4 p -80.1 -178.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -30.06 -63.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.58 -42.47 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.428 ' C ' HG11 ' A' ' 82' ' ' VAL . 1.5 t -77.01 178.94 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 25.9 pttt -168.54 147.19 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' CG2' ' A' ' 79' ' ' THR . 37.7 t -116.14 -175.29 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.6 m -159.93 136.62 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.28 157.84 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 m -123.26 115.25 21.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.9 tp -79.01 158.47 27.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -140.97 130.0 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.19 133.42 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -153.42 136.62 15.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -78.31 169.34 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.54 88.98 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -144.56 134.35 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 t -88.32 54.32 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.31 155.29 2.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -11.71 31.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.5 p -84.6 85.61 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.9 t -135.7 113.49 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -68.78 129.12 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -39.45 -47.61 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.99 -132.24 0.99 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.2 p -96.84 151.6 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -62.62 101.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.73 118.05 2.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -179.18 2.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.25 27.57 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.52 171.13 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.1 mt -93.29 111.83 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -36.5 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 53.6 mttm -108.84 98.77 31.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 161.9 44.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.57 174.72 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.31 140.69 32.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -46.18 129.95 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -107.15 144.83 33.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.578 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 9.0 m-90 -126.92 97.63 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.68 -175.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.4 161.47 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.55 -12.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.44 172.66 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.55 136.0 43.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -105.59 142.67 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -131.5 110.08 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -101.23 98.52 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -94.44 154.51 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -142.96 -177.83 5.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 2.8 tp10 -133.76 141.25 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -128.81 138.6 52.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -63.73 -7.09 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -154.26 139.35 17.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' CA ' HG22 ' A' ' 61' ' ' THR . . . -84.21 179.85 7.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.16 11.11 31.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.466 ' CG2' ' CD ' ' A' ' 83' ' ' GLU . 1.4 m -94.24 132.8 28.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.93 55.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 8.9 p -132.01 149.74 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.401 ' N ' HG22 ' A' ' 39' ' ' VAL . 2.4 t-160 -115.39 103.89 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.559 ' CZ2' ' HB2' ' A' ' 65' ' ' LEU . 98.8 m95 -84.82 108.17 17.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.49 119.05 37.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -104.51 105.7 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.3 48.82 18.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 65.34 44.89 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -151.8 114.87 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.16 129.38 31.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 49' ' ' ARG . 53.5 mt -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 48' ' ' ILE . 12.6 ptt180 -118.5 140.4 49.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -69.32 123.0 20.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -165.85 171.99 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -42.6 -37.3 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.445 ' CE ' HG21 ' A' ' 67' ' ' ILE . 15.6 tptm -69.69 -54.15 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -112.99 98.16 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.2 116.62 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.6 t -94.0 103.35 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.2 t -102.28 122.63 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 24.5 t -112.72 90.03 3.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 61' ' ' THR . 63.8 mt-10 -101.76 178.27 4.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -36.18 95.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . 30.1 p 43.8 45.66 6.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.145 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 62' ' ' MET . 10.6 tmm? -145.52 109.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.51 108.51 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.3 ttp -108.94 138.13 45.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 41' ' ' TRP . 18.6 tp -122.94 100.3 6.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.84 134.85 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.445 HG21 ' CE ' ' A' ' 53' ' ' LYS . 18.8 mt -119.77 78.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -44.88 135.77 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.41 82.28 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.45 100.19 12.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -54.22 -35.18 62.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.04 -44.71 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -35.07 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.05 121.34 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.18 -159.98 11.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -116.03 116.78 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -101.81 119.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.4 m -107.49 105.26 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 8.7 t -81.35 95.28 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.475 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 4.4 tt0 -92.51 124.51 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -104.6 -174.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -29.3 -70.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 -28.95 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 t -86.55 178.58 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 4.0 ptpp? -175.35 147.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 t -125.33 169.18 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 89' ' ' ALA . 88.9 m -143.29 142.66 31.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.468 ' N ' HG22 ' A' ' 88' ' ' THR . . . -144.89 -178.4 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -142.12 129.73 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.0 tp -95.99 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 81.7 m-70 -123.4 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.1 t -142.25 123.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -139.05 135.6 34.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -74.38 165.39 25.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 165.48 2.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.01 117.88 19.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 t -110.25 109.43 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.96 170.57 38.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -14.1 35.63 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 m -57.64 160.55 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.6 p -164.99 127.1 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -64.01 -56.53 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -138.76 113.89 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.84 145.91 5.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -48.16 157.55 0.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -92.33 130.07 38.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.34 81.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 179.86 3.41 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.329 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 37' ' ' THR . . . -104.07 19.27 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.07 170.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 mt -102.15 114.76 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -35.66 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttm -112.26 97.94 41.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.77 165.69 30.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.94 179.77 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -145.44 147.05 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -53.17 131.76 37.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -111.8 137.98 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -116.15 96.61 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' A' ' 26' ' ' VAL . 17.2 m -120.47 -176.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' CB ' ' HD2' ' A' ' 22' ' ' PRO . . . -113.38 166.55 10.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.8 92.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.19 -15.45 3.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.38 172.29 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.25 135.86 43.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 20' ' ' VAL . 51.8 t -104.18 136.07 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -125.68 113.56 17.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 mt -109.88 100.84 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -93.65 162.24 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -156.02 -175.14 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -135.1 156.77 48.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -142.19 137.8 31.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -63.82 -7.41 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 2.4 tpm_? -141.96 140.14 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 61' ' ' THR . . . -83.45 166.54 18.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.55 17.65 54.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.47 ' CG2' ' OE2' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -92.78 117.47 67.58 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.602 0.715 . . . . 0.0 111.1 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 153.84 68.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -126.03 157.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -120.92 108.2 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -86.47 119.48 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.64 116.46 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 109.15 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.49 39.38 25.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 69.95 43.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -143.72 121.14 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.85 123.73 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mt -88.06 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -119.75 136.86 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -64.82 109.75 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' LYS . 5.9 p -146.14 163.98 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' SER . 3.0 mp0 -36.22 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -81.33 -51.28 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -107.37 114.76 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -104.49 125.94 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.7 105.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.55 137.0 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 37' ' ' THR . 48.9 t -146.09 107.62 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' GLY . 16.5 mt-10 -154.41 156.68 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.82 60.67 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.549 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.466 HG22 ' CB ' ' A' ' 35' ' ' ALA . 30.0 p 43.66 40.96 3.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.145 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.72 119.14 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -115.41 128.61 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.5 ttp -126.8 159.57 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 tp -140.04 119.7 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 t -100.28 125.5 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.7 mt -109.93 76.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 mmm-85 -45.3 133.33 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.81 81.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 74' ' ' ASP . . . -92.38 100.95 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.9 m -90.27 176.55 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.21 -30.54 11.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -69.61 -46.37 66.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -43.68 -37.47 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 121.64 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.05 -168.62 37.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -100.44 129.03 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -110.79 102.83 11.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -93.65 111.84 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.19 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.2 95.91 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.05 123.27 30.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -121.01 -174.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 82' ' ' VAL . 1.4 mm-40 -32.16 -72.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.75 -25.39 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.4 174.95 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -163.74 145.0 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.9 t -133.48 166.94 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -153.3 156.17 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.99 168.86 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.4 m -126.8 120.52 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.2 tp -90.99 140.26 30.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.9 148.41 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.3 t -150.95 113.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -129.74 134.78 47.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -63.54 159.16 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -128.79 177.33 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.25 164.27 9.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -152.45 170.17 20.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.15 -177.13 47.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 134.88 28.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.29 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -79.83 -56.51 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.4 p -55.09 117.65 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -63.09 108.04 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -117.68 104.45 11.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.42 79.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -84.08 119.68 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -74.11 159.97 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.83 86.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 156.58 62.86 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 34' ' ' ARG . . . -111.82 41.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.5 174.18 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.13 113.3 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -86.76 -36.8 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttp -107.6 97.65 20.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.77 155.57 65.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.05 177.91 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -141.85 148.16 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.68 141.68 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -117.5 145.74 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -129.61 99.35 5.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 m -127.94 -175.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.02 161.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 87.95 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.2 -12.4 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -92.35 179.62 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -106.23 149.81 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 27' ' ' GLU . 73.5 t -122.29 140.06 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' HG12 ' A' ' 26' ' ' VAL . 46.5 mt-10 -129.79 114.44 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -107.43 94.11 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.1 mtt85 -86.55 163.21 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -154.55 -176.82 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -136.28 155.02 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.4 mt -138.42 138.61 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.5 t -61.26 -19.84 62.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 28.0 ttp180 -139.41 138.74 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.64 -175.33 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.79 41.61 20.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.454 ' CG2' ' CD ' ' A' ' 83' ' ' GLU . 62.9 m -123.21 122.89 26.75 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.591 0.71 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.17 17.2 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.78 150.8 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -110.76 106.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CE3' HD21 ' A' ' 65' ' ' LEU . 95.5 m95 -86.03 104.0 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 46' ' ' LYS . 7.7 mt -106.89 121.85 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -107.32 111.42 23.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t70 60.82 45.91 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.48 25.89 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 7.3 mmpt? -115.82 177.79 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.2 115.55 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 mt -87.73 136.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 128.66 55.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -46.64 136.3 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 4.3 t -173.65 160.89 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.0 pt20 -35.71 -42.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.53 -52.18 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -106.77 86.95 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.2 106.24 7.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.07 107.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.521 ' CG2' ' N ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -120.53 158.0 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 45.8 t -171.11 111.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -111.15 107.19 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.83 -104.59 1.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.7 p -119.01 42.86 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.8 ttp -147.83 104.97 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.58 137.17 37.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 27.6 ttp -135.3 147.79 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.569 HD21 ' CE3' ' A' ' 41' ' ' TRP . 14.9 tp -131.7 107.33 8.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.0 t -81.52 145.59 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.4 mt -128.48 76.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -45.94 134.9 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.17 81.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.73 100.6 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 m -87.89 173.92 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.3 mt -50.22 -35.59 27.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -70.19 -42.39 72.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -40.05 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HA ' ' CD2' ' A' ' 91' ' ' LEU . . . -45.61 132.6 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.99 -174.87 43.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -98.64 116.77 31.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.92 114.37 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.5 m -108.03 106.85 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -82.06 78.94 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 12.6 tt0 -72.81 109.91 6.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.1 p -87.69 -176.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -31.45 -59.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.86 -38.73 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.47 ' N ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -81.17 177.02 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 6.1 pttt -165.48 146.11 7.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.8 t -111.63 -177.81 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -160.09 128.66 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.01 170.32 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -135.09 107.44 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 75' ' ' ALA . 13.6 tp -80.38 147.38 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -130.44 136.72 49.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.5 t -138.67 122.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -142.71 148.79 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 96' ' ' LYS . 9.2 tt0 -97.7 142.46 29.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 95' ' ' GLU . 43.2 mttp -34.52 125.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.67 101.83 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -123.17 143.52 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 118.97 160.33 11.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.82 63.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -55.21 -48.16 74.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -107.37 176.4 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -96.56 103.56 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -155.14 131.34 10.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.38 -84.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.434 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -100.62 131.03 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -162.62 152.32 15.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.91 -156.75 9.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 148.5 65.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' CB ' ' OG1' ' A' ' 37' ' ' THR . . . -83.5 41.48 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.09 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.22 170.09 12.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -95.64 126.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 HD12 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.51 -36.89 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -109.54 104.33 55.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.4 63.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.337 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -67.55 172.31 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.54 143.35 35.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.81 135.59 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -107.69 140.62 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -121.95 96.55 5.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 26' ' ' VAL . 10.3 m -126.33 -174.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.41 161.63 22.43 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.579 0.704 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.55 -9.27 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -90.72 176.8 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.66 135.61 46.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 27' ' ' GLU . 60.8 t -109.92 135.71 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' HG13 ' A' ' 26' ' ' VAL . 40.0 mt-10 -127.55 103.84 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.22 104.02 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -98.2 155.94 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -143.6 -175.76 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -135.22 138.68 43.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.8 mt -122.29 141.29 51.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.9 t -68.66 -12.51 61.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.8 123.01 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' N ' HG21 ' A' ' 61' ' ' THR . . . -65.84 -174.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.63 56.96 15.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.436 ' OG1' ' CB ' ' A' ' 9' ' ' ALA . 90.4 m -140.81 134.58 14.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.115 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.62 57.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.41 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 3.4 p -123.85 155.8 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.5 101.02 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.567 ' CE3' HD23 ' A' ' 65' ' ' LEU . 96.4 m95 -82.61 108.41 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 mt -110.82 121.82 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -110.7 91.68 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 73.71 49.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 61.55 41.17 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -145.69 116.28 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.95 120.95 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.487 HG22 ' CD2' ' A' ' 54' ' ' TYR . 63.8 mt -80.64 140.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' N ' HG21 ' A' ' 48' ' ' ILE . 6.9 ptm180 -107.93 114.65 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -43.27 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -150.84 168.34 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 16.2 pt20 -36.07 -43.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -55.88 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.487 ' CD2' HG22 ' A' ' 48' ' ' ILE . 33.8 m-85 -106.68 108.39 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -99.68 101.09 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.69 101.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 58' ' ' CYS . 95.4 t -91.21 143.87 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' N ' HG13 ' A' ' 57' ' ' VAL . 26.7 t -150.18 107.76 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -114.43 -74.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -148.36 110.06 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 35' ' ' ALA . 71.7 p 45.57 26.66 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.5 ttp -144.4 105.4 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.42 117.43 34.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.2 ttp -113.33 134.06 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.567 HD23 ' CE3' ' A' ' 41' ' ' TRP . 38.7 tp -116.87 102.62 9.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -78.91 142.68 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.4 mt -127.58 80.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -48.36 137.12 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.37 82.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.91 99.98 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 m -85.66 174.94 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 mt -53.04 -29.71 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' N ' ' HE3' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -71.02 -40.3 71.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.54 -35.55 53.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.38 115.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.64 -165.61 25.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.2 138.94 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -120.22 107.2 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.457 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 84.8 m -101.13 109.43 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 1.8 t -88.79 87.94 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -78.26 110.75 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.1 p -99.42 -179.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -33.17 -60.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.15 -42.05 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -75.57 -178.8 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.7 ttpp -175.22 144.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -117.23 179.01 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.0 m -163.02 128.86 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.48 -177.75 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.0 m -144.87 118.35 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.8 tp -80.51 144.81 32.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -127.27 124.55 39.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.41 114.12 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.79 130.93 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -76.98 150.83 35.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -83.02 83.67 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.17 119.75 28.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.7 t -118.78 98.4 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.98 164.16 32.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -27.49 26.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.31 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 t -53.23 -48.35 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.5 m -74.68 -58.44 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -96.22 80.64 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 m -129.32 92.23 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.2 -47.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -90.62 80.18 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -171.7 114.76 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.27 145.57 6.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 151.15 68.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.52 31.05 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.04 170.64 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.5 mt -97.85 121.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.445 HD11 ' CA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.89 -36.54 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -108.94 98.25 28.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.942 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 158.25 57.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.14 176.26 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 28.3 mp0 -140.09 141.09 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -51.27 118.03 2.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -92.57 144.21 25.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -126.73 108.36 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.4 m -137.71 -175.99 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.29 164.04 15.66 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.66 -7.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -96.96 171.83 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -95.87 165.27 12.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.34 146.01 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.65 117.83 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.9 mt -111.66 98.3 7.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -92.56 148.79 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 p -137.8 -177.61 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -136.75 151.37 49.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CA ' HD11 ' A' ' 12' ' ' ILE . 5.2 mt -135.09 140.85 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -59.27 -24.99 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 34' ' ' ARG . 2.6 tmm_? -148.2 141.44 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.19 136.89 32.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.8 -36.23 2.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -72.13 129.23 88.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.75 54.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG13 ' CD1' ' A' ' 41' ' ' TRP . 4.2 p -99.37 156.0 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -121.18 101.24 7.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.545 ' CD1' HG13 ' A' ' 39' ' ' VAL . 99.0 m95 -88.38 103.9 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.34 130.34 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -113.68 105.72 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.36 45.38 20.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 69.11 44.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -147.72 127.14 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 111.66 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -71.43 145.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 mtt85 -120.47 126.26 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.58 112.44 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 8.6 t -150.19 167.74 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 42.3 tt0 -35.35 -35.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -76.31 -56.54 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -101.21 110.75 22.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.49 96.51 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 p -89.77 120.05 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t -107.88 137.03 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 38.2 t -125.35 104.09 8.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -121.99 -177.44 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 61' ' ' THR . . . -38.63 105.25 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 60' ' ' GLY . 72.5 p 35.33 44.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.423 ' HE2' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -153.16 112.18 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.423 ' C ' ' HE2' ' A' ' 62' ' ' MET . . . -113.97 143.96 43.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.0 ttp -140.08 158.21 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.1 tp -140.08 113.04 8.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 67' ' ' ILE . 61.7 t -86.89 147.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.429 ' N ' HG13 ' A' ' 66' ' ' VAL . 17.2 mt -129.87 88.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -61.07 136.39 58.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.42 77.7 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.71 101.32 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.9 m -94.91 173.5 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -46.05 -31.67 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -71.58 -52.91 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.18 -34.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.4 117.92 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -166.67 26.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -98.67 127.06 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -110.51 102.75 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.1 m -89.28 111.01 21.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -90.73 83.22 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -75.17 140.69 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.7 p -133.57 179.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -32.95 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.31 -40.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -76.98 -176.98 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.9 ttpt -175.97 148.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.449 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 8.7 t -123.39 158.83 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.5 m -146.57 127.75 14.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.52 -177.58 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 m -145.66 106.51 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 tp -71.77 145.2 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.73 126.54 43.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.7 t -130.27 114.09 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -128.98 142.3 50.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -79.04 165.23 23.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -37.69 126.91 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.83 124.87 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.5 m -162.83 124.5 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.88 152.72 49.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -21.58 33.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t 41.92 48.71 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.4 m -128.72 126.39 39.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -78.5 -48.64 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -67.16 -40.73 86.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.79 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.56 -69.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -157.32 136.09 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.8 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -82.17 115.86 21.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.26 -152.49 24.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.04 66.85 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.704 2.27 . . . . 0.0 112.333 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -78.51 45.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.49 169.45 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -98.42 126.62 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -36.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 78.9 mttt -105.75 96.42 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.78 157.16 61.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.57 176.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -142.47 154.19 44.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -60.47 127.69 32.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -102.24 150.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -131.71 95.86 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.1 m -125.81 -174.89 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' CB ' ' HD2' ' A' ' 22' ' ' PRO . . . -109.42 165.88 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.7 91.13 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.9 -4.89 3.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -91.42 168.86 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -103.77 118.06 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -93.3 141.23 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.05 111.3 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.62 107.61 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -97.16 150.75 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 63' ' ' ALA . 27.7 p -137.18 -177.63 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.8 tp10 -138.52 142.21 39.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -127.83 136.12 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -60.05 -12.76 8.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -155.39 139.65 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.35 177.86 8.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.83 -52.78 4.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.4 m -60.53 117.8 28.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.557 0.694 . . . . 0.0 111.185 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 173.31 11.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.559 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 3.6 p -121.63 151.67 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.559 ' NE1' ' CG1' ' A' ' 39' ' ' VAL . 91.5 m95 -85.11 115.87 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 48' ' ' ILE . 6.4 mt -117.92 144.13 45.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -122.33 87.37 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 74.93 43.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 74.69 25.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -119.97 137.19 54.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.03 115.93 12.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.423 HD13 ' C ' ' A' ' 42' ' ' LEU . 39.3 mt -89.43 144.26 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -122.77 136.46 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -55.53 131.58 46.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 p -159.17 -176.95 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -58.84 -17.03 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.61 -51.58 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -105.13 96.28 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.42 114.21 23.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -93.76 101.69 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.92 105.24 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.7 t -101.48 96.38 7.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' THR . 27.1 mt-10 -112.4 -175.03 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -37.51 96.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' GLU . 45.9 p 42.3 44.12 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -145.29 106.55 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.478 ' CB ' ' SG ' ' A' ' 30' ' ' CYS . . . -103.66 105.58 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 41.4 ttp -104.49 150.92 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.536 HD23 ' CE3' ' A' ' 41' ' ' TRP . 47.6 tp -132.66 99.1 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 t -80.15 126.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.9 mt -109.36 79.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' GLY . 11.7 mmt180 -46.96 139.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 35.25 80.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.46 101.01 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.94 164.78 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.02 -25.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -76.29 -42.18 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.61 -32.6 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 93' ' ' VAL . . . -51.21 122.34 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.09 -162.08 24.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -105.51 123.29 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -103.23 102.08 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.433 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 51.6 m -97.25 111.73 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.91 90.91 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -82.27 116.99 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.501 ' O ' ' C ' ' A' ' 83' ' ' GLU . 1.6 p -108.3 -174.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -30.31 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.45 -30.24 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.468 ' C ' HG13 ' A' ' 82' ' ' VAL . 2.3 t -82.61 -177.67 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.8 ttpp -176.11 147.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -124.23 166.02 16.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.6 m -146.32 138.38 25.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.62 -177.26 5.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 111.31 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.42 132.27 37.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.28 132.37 56.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.64 135.06 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -145.16 131.84 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.41 168.92 19.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -97.39 41.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 43.38 43.6 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.8 p -103.21 95.24 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.48 146.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 115.01 3.9 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -43.98 154.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.0 t -133.13 95.35 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -119.54 104.6 10.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -71.61 170.74 12.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.91 -55.19 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -38.83 -59.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 p -116.64 38.84 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.56 96.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 176.28 6.92 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' HB2' ' CD ' ' A' ' 83' ' ' GLU . . . -112.65 13.57 19.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.39 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.3 mt -95.42 111.07 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.402 ' CD1' ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -83.76 -37.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 49.4 mttt -107.66 93.23 9.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.49 175.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -144.12 145.07 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.48 123.36 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -101.04 147.54 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -128.87 98.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.2 m -124.34 -177.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.75 163.08 17.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 90.58 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.98 -12.79 3.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.38 172.54 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.85 146.25 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.5 t -117.43 141.48 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -127.73 103.36 7.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.11 91.93 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -92.29 154.28 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -148.65 -175.74 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 4.5 tp10 -129.48 154.27 47.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mt -141.22 137.71 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -57.36 -18.6 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -139.82 153.6 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CA ' HG23 ' A' ' 61' ' ' THR . . . -94.92 176.81 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.71 31.24 15.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 38' ' ' PRO . 99.7 m -99.95 138.86 20.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 37' ' ' THR . 53.5 Cg_endo -69.76 145.07 56.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.8 p -128.64 161.37 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -132.41 110.84 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.48 ' CE3' HD21 ' A' ' 65' ' ' LEU . 97.8 m95 -91.89 108.75 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.39 126.59 52.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 48' ' ' ILE . 17.8 tptp -110.13 103.75 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 57.63 45.67 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 3.9 mmm180 68.99 43.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -150.68 116.64 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 122.33 10.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 49' ' ' ARG . 49.2 mt -86.18 143.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' N ' HG21 ' A' ' 48' ' ' ILE . 7.8 ptm180 -107.64 138.79 43.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -63.0 138.97 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.1 p -174.69 166.38 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -41.92 -24.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' SER . 2.5 tppp? -84.62 -52.97 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -107.52 84.73 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.55 109.6 9.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -89.85 117.49 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.518 ' CG2' ' N ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -132.38 157.82 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 43.8 t -164.05 122.34 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -148.43 142.46 25.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.75 54.22 4.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.463 HG23 ' CA ' ' A' ' 35' ' ' ALA . 7.6 p 55.88 42.31 29.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ttp -135.01 93.77 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.97 124.6 33.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 36.7 ttp -125.31 148.16 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.48 HD21 ' CE3' ' A' ' 41' ' ' TRP . 40.2 tp -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.66 138.55 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.9 mt -123.17 74.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -47.17 133.14 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.61 80.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.1 99.86 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.4 m -90.93 170.38 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.8 mt -52.22 -19.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -81.16 -40.6 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.78 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.6 116.71 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.38 -165.87 27.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -98.43 131.74 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -114.43 100.55 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.458 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 38.9 m -92.07 109.99 21.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.463 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 7.1 t -88.61 91.95 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -83.75 123.04 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -112.33 -174.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.8 OUTLIER -32.47 -58.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -133.24 -33.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.41 178.79 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 11.7 ttpp -169.82 149.21 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -130.38 143.49 50.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.5 m -122.55 141.4 51.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.96 -176.74 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.9 m -146.3 123.11 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -89.66 136.9 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -116.54 138.8 51.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.2 t -140.98 121.42 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -143.45 151.34 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -95.67 140.41 30.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -96.82 153.18 18.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.73 109.09 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 m -68.8 88.73 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.22 -165.1 12.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t 74.52 50.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 t -138.72 105.13 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -117.87 -44.42 2.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -75.74 90.22 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.18 105.55 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -158.81 107.82 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -56.2 88.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.28 -168.26 18.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -170.26 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.81 24.28 12.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 175.72 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.1 mt -97.92 122.09 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -89.48 -35.28 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -110.46 100.96 47.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.696 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 156.59 62.96 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.46 158.23 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -119.62 174.74 6.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -84.42 143.24 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -125.26 131.52 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.478 ' NE1' ' CD2' ' A' ' 92' ' ' HIS . 29.9 m-90 -116.46 107.34 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -130.41 -175.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.18 161.93 21.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 87.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.22 -12.24 1.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -92.39 176.44 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -100.23 155.23 17.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 27' ' ' GLU . 78.5 t -128.51 137.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' HG12 ' A' ' 26' ' ' VAL . 40.2 mt-10 -125.88 135.06 51.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mt -130.22 97.77 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 13.7 mtp180 -88.61 152.72 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 p -139.44 -176.9 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -140.47 146.56 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -130.11 131.47 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 42.3 t -54.26 -25.07 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -141.96 141.11 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' N ' HG21 ' A' ' 61' ' ' THR . . . -67.72 -176.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.31 17.78 19.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.493 ' CG2' ' CG2' ' A' ' 82' ' ' VAL . 53.6 m -95.25 105.19 18.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.573 0.701 . . . . 0.0 111.161 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.84 58.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.529 HG13 ' CD1' ' A' ' 41' ' ' TRP . 3.7 p -109.82 164.64 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -129.9 79.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.4 m95 -61.18 112.57 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mt -113.06 128.24 56.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -113.23 103.92 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.38 45.1 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 68.82 42.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -146.41 129.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 118.74 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 41' ' ' TRP . 76.3 mt -78.93 144.58 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -106.68 164.79 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -105.42 112.31 25.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -158.81 -178.43 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -41.17 -36.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -73.46 -62.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -103.01 107.95 18.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.03 98.75 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -89.42 117.08 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -99.91 81.54 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 33.7 t -91.91 89.48 7.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -116.91 95.08 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.49 -126.19 37.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 35' ' ' ALA . 68.5 p -87.4 37.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 111.105 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.513 ' CE ' ' C ' ' A' ' 63' ' ' ALA . 1.5 tpt -151.45 105.01 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.513 ' C ' ' CE ' ' A' ' 62' ' ' MET . . . -119.72 127.62 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.484 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 64.3 ttp -125.2 169.09 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.571 HD22 ' CE3' ' A' ' 41' ' ' TRP . 29.6 tp -143.76 108.83 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.86 138.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.512 HD11 ' CZ ' ' A' ' 78' ' ' TYR . 25.4 mt -122.51 95.95 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -63.58 133.7 54.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.08 78.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 101.88 12.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.8 m -88.76 171.97 9.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.0 mt -49.81 -38.82 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -70.37 -46.53 63.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -44.53 -33.7 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.95 117.55 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -158.36 -157.2 8.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.97 114.55 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.512 ' CZ ' HD11 ' A' ' 67' ' ' ILE . 47.8 m-85 -96.97 111.35 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.4 m -104.27 107.97 19.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.57 ' SG ' ' CE3' ' A' ' 41' ' ' TRP . 1.5 m -87.31 83.48 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.496 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 7.1 tt0 -75.99 121.0 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.493 ' CG2' ' CG2' ' A' ' 37' ' ' THR . 1.0 OUTLIER -102.06 -175.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.03 -68.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.76 -28.58 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.411 ' C ' HG11 ' A' ' 82' ' ' VAL . 2.1 t -88.29 -177.96 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 11.7 pttp -174.67 142.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 t -110.93 170.16 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.4 m -152.2 133.34 14.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.74 170.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 m -133.92 106.32 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.0 tp -77.43 150.45 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.478 ' CD2' ' NE1' ' A' ' 19' ' ' TRP . 89.1 m-70 -133.01 137.29 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.9 t -137.43 117.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -137.36 142.63 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.28 138.48 47.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -39.06 134.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.0 -54.31 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.7 p -51.2 164.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 125.06 148.72 7.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -2.69 10.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.65 2.233 . . . . 0.0 112.37 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 t -43.64 135.92 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.6 p -154.24 175.02 14.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -87.01 -46.82 9.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.914 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -174.83 145.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.63 -83.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -106.5 120.46 41.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -69.33 -9.15 52.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.38 -148.65 18.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.21 22.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.45 32.01 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' CB ' ' OG ' ' A' ' 85' ' ' SER . . . -65.54 167.38 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.6 mt -93.76 116.44 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' CD1' ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -84.96 -35.92 10.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -107.92 101.63 41.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.56 62.97 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.67 -176.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -148.77 177.5 9.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.09 126.19 34.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -100.8 137.74 38.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.407 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 3.7 m-90 -119.71 97.6 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.91 -174.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.71 163.42 17.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 89.99 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -14.09 1.84 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -89.05 168.25 12.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -100.17 130.22 46.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -100.18 145.76 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.48 114.94 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.83 99.54 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -92.98 163.72 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 p -152.35 -175.83 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -136.75 150.4 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.2 mt -132.95 132.06 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.445 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 28.9 t -56.46 -17.74 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -154.3 141.48 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.15 175.05 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.75 33.87 45.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.7 m -136.51 116.27 10.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.46 50.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG11 ' NE1' ' A' ' 41' ' ' TRP . 2.8 p -100.46 162.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -122.41 96.38 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.558 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.7 m95 -79.26 116.31 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mt -117.25 120.46 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -102.61 92.52 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 71.65 49.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 62.29 38.74 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -144.21 119.89 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.69 126.33 21.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 49' ' ' ARG . 57.5 mt -87.32 144.09 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' N ' HG22 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -110.86 133.33 53.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.82 136.91 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -172.05 161.76 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.7 tt0 -38.24 -31.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -77.58 -54.11 6.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -105.5 85.4 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.98 114.72 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.42 112.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -127.85 156.87 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 21.5 t -169.32 115.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.89 102.34 10.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.83 -103.34 1.65 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.5 p -120.03 41.34 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 0.0 111.1 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.2 ttp -143.72 105.16 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.23 134.88 36.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.1 ttp -131.34 150.5 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.558 HD22 ' CE3' ' A' ' 41' ' ' TRP . 41.1 tp -134.67 103.01 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.18 142.1 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.507 HD11 ' CZ ' ' A' ' 78' ' ' TYR . 18.0 mt -125.39 74.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -44.67 134.83 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.12 81.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.12 100.91 13.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -91.9 166.64 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.9 mt -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -69.12 -46.84 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.53 -43.14 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.9 130.16 9.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.66 -170.19 38.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -98.15 128.75 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CZ ' HD11 ' A' ' 67' ' ' ILE . 90.7 m-85 -111.26 100.3 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -97.38 111.47 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -91.03 87.03 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -78.32 94.93 4.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.532 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.8 p -84.44 -178.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -26.83 -72.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -33.8 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.474 ' C ' HG13 ' A' ' 82' ' ' VAL . 20.3 m -78.14 -179.99 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -175.68 143.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 t -124.3 165.81 17.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 m -143.54 135.86 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.64 173.04 11.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.1 p -138.57 113.36 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.4 tp -81.72 144.15 31.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.407 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 81.5 m-70 -124.68 145.04 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.5 t -144.35 121.72 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -136.96 137.34 39.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -85.87 142.75 28.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -69.35 122.82 19.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.15 137.15 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -102.07 -55.05 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.24 174.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 90.18 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -57.06 160.35 3.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.3 p -121.3 -43.86 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -101.51 82.05 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -110.77 128.33 55.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.38 177.71 42.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -46.24 114.98 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -118.41 139.08 51.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.57 179.05 32.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 153.4 69.28 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 34' ' ' ARG . . . -83.59 33.73 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -57.94 171.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.4 mt -97.99 123.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -92.0 -35.77 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -109.63 102.4 49.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.04 61.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.28 178.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -146.38 145.38 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.0 127.38 23.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -104.23 135.18 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 10.1 m-90 -121.94 103.08 8.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 m -129.0 -174.76 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.31 162.49 19.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 88.26 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.58 -10.94 2.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -90.89 174.12 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.36 137.79 41.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -109.38 136.01 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -126.8 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mt -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 29' ' ' ARG . 27.2 mtm105 -97.16 146.05 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -135.19 -175.51 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -138.15 136.68 36.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.6 mt -121.42 134.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 14.9 t -56.39 -19.53 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.437 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 16.1 ttm180 -144.7 138.82 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' CB ' HG23 ' A' ' 61' ' ' THR . . . -82.99 157.66 22.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.69 -48.8 1.02 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.3 m -60.33 119.95 47.33 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.562 0.696 . . . . 0.0 111.118 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 168.93 20.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.561 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 9.8 p -120.97 145.67 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -100.74 96.45 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.561 ' NE1' ' CG1' ' A' ' 39' ' ' VAL . 96.3 m95 -77.74 112.92 15.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.02 118.27 33.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -107.39 102.57 11.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 63.43 47.45 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 62.16 45.1 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -149.21 116.99 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.23 124.52 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.9 mt -87.61 138.47 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -111.78 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -51.32 125.23 13.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 52' ' ' GLN . 59.5 p -161.13 171.54 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.4 tt0 -37.7 -43.06 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -67.78 -57.93 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -100.13 117.2 33.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.26 95.24 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.53 107.25 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.01 98.21 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.2 t -97.4 90.42 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -87.93 42.05 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' C ' ' HB2' ' A' ' 35' ' ' ALA . . . 91.81 -92.29 1.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.411 HG23 ' CB ' ' A' ' 35' ' ' ALA . 73.8 p -103.48 32.69 3.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 111.156 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 ttp -153.31 114.85 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.87 110.09 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.7 ttp -109.5 128.28 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.407 HD23 ' CE3' ' A' ' 41' ' ' TRP . 29.6 tp -111.93 102.7 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.14 118.91 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.6 mt -104.6 79.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -46.71 140.66 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.72 82.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.14 100.12 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.0 m -89.09 168.71 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.1 mt -43.12 -42.36 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.42 -52.05 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.71 -37.7 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.96 119.95 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.44 -167.23 30.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -96.25 133.63 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -116.49 100.32 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.9 m -97.46 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.37 90.25 7.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.14 113.91 19.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' A' ' 83' ' ' GLU . 2.8 p -108.58 -177.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.2 -73.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.65 -34.0 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -81.88 176.48 9.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.476 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 6.3 ttpt -175.59 147.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.476 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 19.4 t -122.39 174.58 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.4 m -155.35 132.62 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.82 170.4 15.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -133.95 122.69 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -85.16 146.66 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.506 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 73.2 m-70 -128.54 133.39 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.35 118.29 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.59 132.77 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.82 163.47 28.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -80.33 116.13 20.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.27 89.02 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -148.41 123.59 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.51 164.56 13.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 91.1 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -70.08 119.96 15.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.0 p -128.59 138.26 52.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 m -103.49 -46.72 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -97.35 84.27 3.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.41 169.41 28.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 p -54.94 166.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -156.7 172.81 17.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.38 153.05 12.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 175.26 8.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . . . -102.29 16.1 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.28 155.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.403 ' H ' ' CB ' ' A' ' 85' ' ' SER . 11.7 mt -93.59 119.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -95.04 -36.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 46.2 mttm -107.37 95.96 14.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.7 158.82 55.7 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.4 -177.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 42.9 mp0 -144.42 148.24 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -56.6 120.21 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -101.86 137.34 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.551 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 29.8 m-90 -120.08 104.07 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -127.94 -177.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.79 162.02 21.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 87.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.71 -11.32 1.7 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -91.69 170.4 9.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.811 0.338 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.3 143.56 26.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.41 135.49 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -129.57 120.45 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mt -116.31 100.43 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -93.59 150.98 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -141.33 -175.09 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 2.8 tp10 -136.56 150.26 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.2 mt -133.64 143.99 48.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -57.21 -33.64 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' CG ' ' HB2' ' A' ' 9' ' ' ALA . 5.3 ptm180 -142.69 146.49 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' CA ' HG22 ' A' ' 61' ' ' THR . . . -72.46 -175.2 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.7 41.03 99.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.439 HG21 ' CD ' ' A' ' 83' ' ' GLU . 98.2 m -141.35 105.06 6.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 146.83 61.29 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 6.0 p -102.35 154.78 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -112.03 105.01 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.492 ' NE1' ' CG1' ' A' ' 39' ' ' VAL . 84.5 m95 -85.84 115.67 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -118.03 119.26 34.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -98.84 95.04 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.87 53.72 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 64.45 46.4 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -148.84 117.94 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.87 122.26 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 49' ' ' ARG . 52.8 mt -84.09 141.69 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' N ' HG23 ' A' ' 48' ' ' ILE . 44.4 mtt85 -104.13 146.28 28.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 16.0 ttmt -84.03 124.45 31.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 53' ' ' LYS . 20.6 p -163.79 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -38.81 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -81.43 -63.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -99.26 112.64 24.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -103.68 100.44 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -98.54 105.23 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -109.13 158.01 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.526 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 52.9 t -157.98 117.78 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -150.69 145.88 26.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.82 62.37 1.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.461 HG22 ' CA ' ' A' ' 35' ' ' ALA . 73.3 p 49.48 38.87 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 111.166 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.1 ttp -134.82 95.6 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.01 124.3 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.7 ttp -128.81 149.49 50.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 41' ' ' TRP . 18.9 tp -132.89 116.85 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.6 t -96.85 140.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.9 mt -125.4 86.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -50.03 135.02 21.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.89 82.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.24 100.63 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -81.96 167.18 19.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.5 mt -44.08 -38.74 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptp? -63.65 -50.13 70.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' LYS . 1.1 m-20 -36.28 -41.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.37 143.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.17 178.11 35.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.46 119.8 31.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.94 99.69 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -89.81 110.33 21.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.93 81.32 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.53 128.34 35.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -127.87 -174.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -32.21 -72.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.67 -27.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.4 m -80.69 172.27 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 85' ' ' SER . 26.3 mtmt -162.92 148.51 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 t -140.14 145.03 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -154.66 142.34 19.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -104.7 117.98 35.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.1 tp -90.97 133.66 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 55.9 m-70 -116.71 126.7 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.5 t -127.34 108.96 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -139.9 137.8 35.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -79.03 138.58 38.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -51.25 111.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.29 139.64 47.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -102.5 -57.37 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.99 149.03 4.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.7 52.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.2 t -112.77 80.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.0 m -109.81 152.11 26.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.534 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -96.87 133.39 41.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.89 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -81.25 -52.04 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.38 143.66 7.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' SER . 45.0 m -130.16 173.49 10.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.882 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 22.7 p -36.55 -40.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.78 -156.45 20.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 175.99 7.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.312 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' CB ' ' OG1' ' A' ' 37' ' ' THR . . . -117.95 31.76 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.23 168.28 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.7 mt -95.99 126.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -35.57 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 98.0 mttt -110.34 98.36 35.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 156.4 63.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.88 176.46 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -141.88 142.9 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -44.31 143.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.52 140.05 51.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.713 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 11.6 m-90 -126.15 99.53 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.94 -175.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.2 161.38 23.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.355 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -8.53 1.64 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -93.01 175.14 6.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -102.73 143.3 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.5 t -119.29 145.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -135.58 118.78 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.7 mt -111.4 95.8 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -90.31 152.52 21.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -140.82 -179.08 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.426 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tp10 -132.92 140.29 47.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mt -126.39 140.5 52.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -64.44 -11.18 30.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -153.35 132.16 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' HG21 ' A' ' 61' ' ' THR . . . -81.26 146.67 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.38 -36.73 3.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' A' ' 9' ' ' ALA . 60.8 m -68.12 118.61 60.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.723 . . . . 0.0 111.09 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.89 63.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -105.41 147.99 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -106.64 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.568 ' CE3' HD21 ' A' ' 65' ' ' LEU . 96.3 m95 -87.38 118.83 27.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -119.24 131.95 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 8.9 tttm -114.48 104.69 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 18.8 m-20 63.64 45.12 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 44' ' ' ASP . 1.5 mtm105 68.91 26.33 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 9.2 ptpt -114.03 159.6 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.28 114.94 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 49' ' ' ARG . 25.3 mt -90.78 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' N ' HG22 ' A' ' 48' ' ' ILE . 60.0 mtt180 -124.5 131.61 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -50.76 119.22 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -150.3 169.89 20.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -93.73 99.78 12.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 108.42 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.55 110.46 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.59 90.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.7 t -88.88 93.47 9.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' THR . 5.5 mm-40 -105.38 179.16 4.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.38 95.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 35' ' ' ALA . 41.3 p 48.27 45.35 20.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.333 . . . . 0.0 111.163 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.2 ttp -149.26 106.02 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.19 104.28 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.0 ttp -109.02 138.96 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 41' ' ' TRP . 15.6 tp -122.14 106.72 11.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.61 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.6 mt -111.87 74.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -44.45 138.2 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.98 81.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.82 102.09 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.6 m -96.67 169.46 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.418 ' N ' HG12 ' A' ' 93' ' ' VAL . 42.1 mt -40.01 -38.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -63.24 -54.88 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -40.14 -42.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.95 119.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.43 169.1 41.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.78 128.22 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.77 110.3 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.487 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.2 m -103.77 111.6 24.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.517 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -88.76 84.11 6.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.37 104.06 4.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.504 ' O ' ' C ' ' A' ' 83' ' ' GLU . 3.2 p -93.98 177.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -29.2 -69.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.97 -38.83 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 m -77.72 -175.87 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.487 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 17.7 ttpt -176.27 142.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -114.92 168.35 9.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 m -152.75 124.5 7.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.204 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.12 158.33 44.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.9 t -118.09 132.8 56.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.67 138.85 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.713 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 37.4 m-70 -117.4 142.24 47.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 72' ' ' LEU . 72.6 t -140.5 116.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -138.75 131.95 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -78.49 142.8 37.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 162.98 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -171.04 166.68 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.1 p -104.08 97.87 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.46 163.53 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -5.33 16.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 m -118.23 90.58 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.9 t -116.51 97.96 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -57.71 166.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.497 HG12 HD23 ' A' ' 32' ' ' LEU . 74.0 mt -95.25 118.64 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.444 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -94.0 -36.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 97.4 mttt -106.33 96.03 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.73 157.29 60.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 28' ' ' LEU . 5.0 mt -66.99 -176.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 32.4 mt-10 -148.51 166.5 28.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -69.61 121.82 17.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.617 HE21 HD23 ' A' ' 28' ' ' LEU . 1.8 mp0 -103.73 142.46 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -122.48 107.05 11.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 m -132.12 -175.52 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.06 162.0 21.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 111.088 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.638 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.3 Cg_endo -69.71 85.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.89 -6.83 1.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -92.82 164.23 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.97 132.33 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.25 136.71 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.44 113.01 15.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.617 HD23 HE21 ' A' ' 18' ' ' GLN . 6.8 mt -105.62 98.91 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -91.48 163.45 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.663 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.7 p -152.52 -176.4 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.5 tp10 -137.46 138.51 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD23 HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -125.76 144.58 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -63.8 -9.17 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -157.56 152.33 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.866 0.365 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -134.83 107.15 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CD2' HD22 ' A' ' 65' ' ' LEU . 99.1 m95 -87.91 112.45 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -109.63 116.8 32.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.93 ' HB2' HD11 ' A' ' 48' ' ' ILE . 1.8 tmtt? -111.59 113.52 25.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.442 ' CG ' ' HD3' ' A' ' 43' ' ' LYS . 85.1 m-20 63.61 41.08 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 63.8 31.54 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -129.62 136.91 50.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.03 124.03 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.93 HD11 ' HB2' ' A' ' 43' ' ' LYS . 24.1 mt -93.9 153.66 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -125.08 126.12 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -51.28 119.38 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 57.7 p -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.7 tp60 -35.73 -50.05 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.19 -62.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.524 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 48.0 m-85 -93.18 106.98 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -100.21 96.96 7.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.4 t -73.96 100.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -145.5 121.88 10.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.663 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -112.41 105.89 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.4 ttp -107.95 142.32 38.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.591 HD22 ' CD2' ' A' ' 41' ' ' TRP . 38.8 tp -126.05 109.48 12.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 t -87.4 121.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 67' ' ' ILE . 16.6 mt -106.78 74.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -43.16 135.93 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.96 82.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 101.97 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 m -84.13 169.6 14.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 mt -49.25 -28.42 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -75.17 -43.94 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.49 ' O ' ' CE ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -44.58 -24.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.15 123.14 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.46 37.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -93.18 109.25 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.394 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -89.29 113.08 24.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.3 m -108.47 107.81 18.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 t -81.31 87.32 6.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.93 99.8 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.777 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.9 p -96.22 -177.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.777 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -30.97 -71.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.45 -30.98 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.1 t -73.71 179.05 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 17.7 mtmm -166.83 140.87 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.5 t -131.42 134.88 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.8 m -119.49 146.39 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -154.76 169.45 23.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -127.59 120.08 27.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.65 HD12 ' H ' ' A' ' 92' ' ' HIS . 22.8 tp -88.66 146.49 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.65 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.8 m-70 -125.12 151.0 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.2 t -157.38 112.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.434 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 38.4 mt-10 -134.35 144.07 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.758 0.313 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -47.8 164.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.0 mt -97.31 130.29 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -103.78 -35.97 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 63.2 mttm -109.77 97.14 27.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.535 0.684 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.9 Cg_endo -69.7 162.66 41.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 28' ' ' LEU . 4.5 mt -70.82 172.82 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -138.18 146.78 43.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.23 126.81 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -98.66 147.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -131.33 95.54 3.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.68 -176.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.7 164.48 14.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.1 Cg_endo -69.72 87.62 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.63 -10.98 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.53 176.24 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -100.97 148.71 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.39 147.97 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.06 125.4 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.813 ' HB3' HD22 ' A' ' 15' ' ' LEU . 15.5 mt -121.89 90.29 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 29' ' ' ARG . 17.0 mtm105 -88.58 151.96 22.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.787 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 6.4 p -141.26 -175.94 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 11' ' ' ILE . 14.6 tt0 -135.1 144.91 47.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 11' ' ' ILE . 6.4 mt -131.6 131.87 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -51.23 -28.71 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' C ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -133.86 143.52 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.988 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.541 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 4.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.8 0.333 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.41 106.22 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.613 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.8 m95 -88.68 107.94 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.19 119.87 40.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HB2' HD11 ' A' ' 48' ' ' ILE . 35.1 tttm -108.12 102.0 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.99 51.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 57.38 45.69 19.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -149.71 122.15 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 125.73 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 43' ' ' LYS . 35.6 mt -88.54 148.43 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -111.96 133.46 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -64.87 111.27 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.6 t -154.42 169.4 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.5 pt20 -34.51 -36.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HZ2' HG23 ' A' ' 67' ' ' ILE . 18.5 tptp -70.0 -59.78 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' HB3' HD11 ' A' ' 65' ' ' LEU . 60.0 m-85 -109.22 122.13 46.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.62 113.99 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.03 103.23 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.887 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.988 HG23 ' HB2' ' A' ' 35' ' ' ALA . 52.5 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.778 0.323 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.7 ttp -142.91 105.09 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.787 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -97.01 114.11 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.413 ' CG ' ' HG2' ' A' ' 29' ' ' ARG . 59.8 ttp -117.78 137.11 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.613 HD22 ' CE3' ' A' ' 41' ' ' TRP . 53.6 tp -119.62 101.01 7.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -81.71 129.15 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.571 HG23 ' HZ2' ' A' ' 53' ' ' LYS . 14.0 mt -117.16 86.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -56.36 135.72 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.25 81.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.47 102.04 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.6 m -83.14 167.98 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD23 HG12 ' A' ' 93' ' ' VAL . 26.9 mt -53.99 -23.78 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -83.73 -36.23 23.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' OD2' ' NZ ' ' A' ' 53' ' ' LYS . 2.8 m-20 -51.35 -22.14 2.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 120.38 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.2 -172.73 33.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -98.98 130.62 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -111.81 112.02 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.0 m -100.48 108.09 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.25 77.45 9.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.02 116.65 8.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.783 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.3 p -109.65 -178.4 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.783 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.13 -69.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.1 -32.33 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.463 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.1 t -73.06 -175.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -166.42 147.01 6.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -134.82 128.62 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -115.8 148.0 40.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -159.14 163.21 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -126.09 131.0 52.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -97.45 137.11 36.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -117.58 144.93 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.481 HG12 HD23 ' A' ' 72' ' ' LEU . 75.1 t -141.06 107.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -132.38 136.73 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.653 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.784 0.326 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' ' OG ' ' A' ' 85' ' ' SER . . . -71.51 169.73 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.721 HD11 ' HB ' ' A' ' 82' ' ' VAL . 65.2 mt -97.04 106.84 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.568 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -80.17 -37.73 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 68.5 mttt -105.66 93.75 7.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.907 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.79 155.88 64.72 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 28' ' ' LEU . 16.5 mt -62.09 176.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -144.29 162.81 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.4 127.09 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -103.03 149.48 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -133.0 97.29 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.2 m -128.31 -176.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.1 161.19 23.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.619 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.74 87.08 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.8 -11.32 1.09 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -90.6 178.45 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.86 125.43 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.429 ' HB ' HD12 ' A' ' 67' ' ' ILE . 91.0 t -94.25 144.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.05 107.8 7.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.826 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.9 mt -98.69 96.9 8.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 26.4 mtm105 -92.84 143.19 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -135.36 -175.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -135.83 147.92 48.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' CG2' ' A' ' 61' ' ' THR . 3.4 mt -133.03 132.41 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.0 t -57.57 -15.02 6.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 24.4 ttm180 -154.73 140.96 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.352 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -124.52 102.31 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.591 ' HB3' HD12 ' A' ' 48' ' ' ILE . 97.8 m95 -83.28 112.49 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.14 125.73 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.699 ' HB2' HD11 ' A' ' 48' ' ' ILE . 9.0 tttm -110.48 90.46 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 72.44 51.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 63.52 38.88 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -143.06 129.1 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.7 119.18 12.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 43' ' ' LYS . 62.4 mt -81.76 136.56 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 124.28 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -55.3 110.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 39.6 p -149.39 172.53 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.5 mt-30 -37.5 -41.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -69.06 -54.85 12.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.462 ' CD2' HG23 ' A' ' 48' ' ' ILE . 46.4 m-85 -102.42 113.9 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.43 93.08 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.2 t -71.62 94.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.5 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -146.05 109.04 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.452 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -100.24 115.61 30.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.0 ttp -115.38 129.53 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.545 HD22 ' CE3' ' A' ' 41' ' ' TRP . 31.8 tp -113.92 101.21 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.2 t -76.17 137.68 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.474 HD13 ' OH ' ' A' ' 78' ' ' TYR . 18.6 mt -121.51 81.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -51.11 139.11 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.02 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.55 100.98 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -92.3 167.25 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 mt -39.84 -38.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -61.08 -47.37 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.78 -38.76 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.493 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -47.27 116.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.92 -166.11 30.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -99.03 130.43 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' A' ' 67' ' ' ILE . 95.2 m-85 -108.19 100.12 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 86' ' ' LYS . 99.6 m -94.42 111.67 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.3 t -91.92 94.81 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -81.82 99.69 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.789 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -91.42 179.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.789 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.3 -70.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.36 -28.3 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.685 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -81.44 -179.15 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 79' ' ' THR . 13.8 ttmt -160.16 159.71 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 t -144.32 128.17 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.4 m -117.13 145.27 43.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.78 165.38 36.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.5 p -125.66 123.12 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 75' ' ' ALA . 11.6 tp -91.95 144.37 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.464 ' H ' HD12 ' A' ' 91' ' ' LEU . 26.9 m80 -125.72 134.16 51.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.7 t -135.87 106.86 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -123.57 130.88 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.576 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.786 0.327 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 178.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.635 HD11 ' HB ' ' A' ' 82' ' ' VAL . 57.2 mt -100.58 121.2 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.679 HD11 ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.33 -36.1 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 33.9 mtpt -115.43 110.2 45.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.75 157.65 59.68 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 80' ' ' CYS . 87.0 mt -61.1 175.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -139.48 162.27 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 4.9 p30 -76.54 123.34 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -104.35 140.01 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.579 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 9.7 m-90 -120.21 110.36 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 m -133.41 -175.07 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.662 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.35 162.8 18.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.82 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.11 -10.15 0.99 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.84 -178.45 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -114.38 124.5 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.617 ' HB ' HD12 ' A' ' 67' ' ' ILE . 55.7 t -88.06 152.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -140.83 110.4 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 65' ' ' LEU . 5.5 mt -105.07 98.44 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -95.66 156.56 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -148.08 -175.03 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.679 ' OE1' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -132.68 133.58 43.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 3.0 mt -118.09 132.91 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.462 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 10.2 p -52.7 -22.25 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 66.2 ttt-85 -143.23 132.55 23.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.613 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 40' ' ' HIS . 7.9 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.85 0.357 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' N ' HG22 ' A' ' 39' ' ' VAL . 2.5 t-160 -132.31 93.63 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.608 ' CE3' HD22 ' A' ' 65' ' ' LEU . 95.7 m95 -77.92 109.82 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 47' ' ' ALA . 5.8 mt -109.99 127.88 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.828 ' HB2' HD11 ' A' ' 48' ' ' ILE . 10.3 tmtt? -116.46 102.93 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.74 45.51 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 65.92 41.67 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -143.22 129.14 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -70.66 112.66 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.075 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.828 HD11 ' HB2' ' A' ' 43' ' ' LYS . 22.3 mt -78.87 161.05 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.517 ' N ' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -125.05 164.4 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -85.29 127.3 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -168.24 -179.73 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.61 -42.28 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -68.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 24.6 m-85 -95.49 110.67 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -106.02 111.81 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -82.18 118.69 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.0 ttp -146.55 108.15 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -101.72 106.85 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 32.8 ttp -112.16 138.96 48.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.608 HD22 ' CE3' ' A' ' 41' ' ' TRP . 29.8 tp -120.6 100.2 6.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.84 142.21 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.899 HG21 ' OD2' ' A' ' 74' ' ' ASP . 41.0 mt -126.84 90.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -57.1 129.61 42.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.24 74.41 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.9 99.98 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.0 m -90.95 167.43 12.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.594 ' HA ' HG13 ' A' ' 93' ' ' VAL . 22.9 mt -41.98 -34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' ASP . 15.0 ttpt -66.53 -53.4 35.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.899 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.1 t70 -34.26 -46.62 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.976 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -46.59 117.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.91 37.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.54 99.11 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -88.11 115.41 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 100.0 m -106.52 103.9 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.58 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.8 t -80.97 89.64 5.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.27 110.64 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.79 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.5 p -91.2 -179.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.79 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -28.8 -67.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.01 -42.9 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.484 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -74.95 177.74 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.12 128.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.5 t -108.79 161.38 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.5 m -138.55 134.06 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.56 -176.88 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.0 t -141.92 129.25 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.524 ' O ' ' HB1' ' A' ' 75' ' ' ALA . 15.3 tp -94.21 138.82 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.579 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 25.4 m80 -118.47 145.29 45.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.976 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -155.61 131.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 37.3 mt-10 -145.35 140.88 28.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 22' ' ' PRO . 10.0 tm-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.575 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.792 0.33 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.02 -179.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.702 HD11 ' HB ' ' A' ' 82' ' ' VAL . 41.3 mt -107.84 113.49 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.531 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.38 -36.63 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -108.5 96.81 20.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.526 0.679 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 155.0 67.37 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 18.0 mt -60.82 167.79 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -133.98 154.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.59 139.86 58.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -118.77 141.29 48.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 -121.9 103.5 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.44 HG11 HG22 ' A' ' 26' ' ' VAL . 20.9 m -130.38 -178.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.36 164.45 14.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.724 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.3 Cg_endo -69.77 92.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.33 -8.87 3.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -91.71 171.59 9.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -100.08 149.41 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG11 ' A' ' 20' ' ' VAL . 73.0 t -125.0 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.95 106.13 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.655 HD12 HD23 ' A' ' 65' ' ' LEU . 4.8 mt -98.01 101.37 12.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -94.66 162.81 13.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.6 p -153.07 179.23 8.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.89 141.01 47.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -127.72 142.21 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -60.13 -13.95 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 35' ' ' ALA . 20.8 ttm180 -159.14 147.41 17.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG13 ' CD1' ' A' ' 41' ' ' TRP . 5.8 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.888 0.375 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -105.94 100.64 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.665 ' CE3' HD22 ' A' ' 65' ' ' LEU . 97.9 m95 -81.19 111.14 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.6 mt -113.53 127.51 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB2' HD11 ' A' ' 48' ' ' ILE . 12.9 tptm -107.3 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.06 48.0 18.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 66.88 42.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -144.77 107.06 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -49.47 127.85 16.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 41' ' ' TRP . 43.5 mt -92.01 146.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -116.38 120.35 38.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.47 130.72 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.8 t -170.88 170.93 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' SER . 39.2 tp60 -37.34 -42.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.75 -66.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.48 ' HB3' HD11 ' A' ' 65' ' ' LEU . 33.1 m-85 -97.34 101.13 12.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.46 104.25 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 t -82.32 108.17 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.437 HG22 ' C ' ' A' ' 34' ' ' ARG . 32.3 p . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.798 0.333 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -144.52 119.19 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.711 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -111.96 107.4 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 48.4 ttp -108.84 153.91 22.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.665 HD22 ' CE3' ' A' ' 41' ' ' TRP . 20.3 tp -138.41 109.67 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.8 125.92 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.29 77.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.25 134.86 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.18 82.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 100.71 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.3 m -80.66 157.88 25.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -38.69 -37.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -63.24 -42.7 99.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -46.15 -40.88 11.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.47 116.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.92 -171.84 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.61 142.19 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -121.43 105.24 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.4 m -96.5 111.52 23.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.75 87.4 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.49 121.15 16.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.775 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.9 p -109.77 178.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.775 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.52 -71.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.66 -31.83 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.674 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.9 m -78.9 -174.51 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -159.37 162.85 35.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -151.01 142.36 23.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -131.37 156.09 46.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -147.41 -176.63 5.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -144.27 111.84 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.9 tp -91.65 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -118.89 137.86 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.6 t -140.12 109.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.439 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 11.0 mt-10 -125.36 140.2 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' HA ' ' CD ' ' A' ' 22' ' ' PRO . 2.9 tm-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.453 ' CA ' ' HG2' ' A' ' 34' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -36.76 154.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mt -93.16 111.53 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.537 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -86.6 -36.09 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 35.2 mttp -106.99 95.84 13.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 28' ' ' LEU . 5.9 mt -63.98 177.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -147.32 149.56 33.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 5.8 m-20 -53.74 126.8 23.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -104.29 131.8 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -108.68 102.08 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.778 HG11 HG22 ' A' ' 26' ' ' VAL . 18.9 m -128.91 -175.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.734 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -111.61 165.19 13.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.734 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 52.9 Cg_endo -69.83 92.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.286 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.66 -13.39 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.6 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -102.42 130.22 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.778 HG22 HG11 ' A' ' 20' ' ' VAL . 56.0 t -103.11 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -129.97 118.41 21.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.6 mt -110.68 90.63 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -82.08 161.06 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.8 p -149.64 -175.16 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -143.63 140.34 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.32 144.73 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -55.5 -27.49 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HG2' ' CA ' ' A' ' 9' ' ' ALA . 15.0 ptt180 -147.21 158.12 43.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.477 HG22 ' H ' ' A' ' 40' ' ' HIS . 5.5 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.878 0.371 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.477 ' H ' HG22 ' A' ' 39' ' ' VAL . 4.1 t-160 -133.56 116.82 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.561 ' HB3' HD12 ' A' ' 48' ' ' ILE . 90.1 m95 -98.89 114.75 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 47' ' ' ALA . 7.0 mt -114.78 119.41 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB2' HD11 ' A' ' 48' ' ' ILE . 15.4 tttt -108.33 102.62 11.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 63.05 53.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.23 45.93 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -147.35 117.69 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -60.47 129.0 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 41' ' ' TRP . 43.6 mt -93.28 144.23 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -119.14 116.41 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -38.74 137.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 52' ' ' GLN . 54.5 p -169.88 166.01 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.4 tp-100 -35.08 -38.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -72.01 -68.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.493 ' HB3' HD11 ' A' ' 65' ' ' LEU . 48.2 m-85 -87.99 119.85 28.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -110.23 109.37 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.42 99.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 35' ' ' ALA . 14.1 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.802 0.335 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.4 ttp -153.13 119.6 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.628 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -114.61 116.64 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.1 ttp -115.61 146.26 41.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.501 HD22 ' CE3' ' A' ' 41' ' ' TRP . 18.9 tp -128.78 103.86 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 t -81.18 134.05 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 67' ' ' ILE . 19.4 mt -118.49 76.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLY . 16.4 mmm180 -44.97 140.25 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 37.73 77.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 100.47 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -80.95 159.68 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.538 HD23 HG22 ' A' ' 93' ' ' VAL . 37.3 mt -40.11 -35.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -66.67 -46.7 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.402 ' OD2' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -39.23 -36.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.911 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -51.51 123.36 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.5 -167.51 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -104.64 130.46 52.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.95 108.31 17.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 m -93.96 110.07 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.93 95.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -88.13 124.51 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.668 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -126.81 -174.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.668 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.74 -72.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.6 -26.25 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.465 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -78.66 167.28 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -155.58 140.65 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 t -127.29 153.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 m -141.65 146.41 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -151.75 178.79 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 52.7 p -141.58 120.71 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 75' ' ' ALA . 11.8 tp -84.07 138.08 33.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.501 ' CD2' ' HB3' ' A' ' 17' ' ' ASP . 85.4 m-70 -119.29 133.47 55.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.911 HG12 ' HB2' ' A' ' 75' ' ' ALA . 1.2 p -140.96 136.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -153.71 138.65 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.693 ' HB2' ' HG2' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.813 0.339 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.7 158.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.787 HD11 ' HB ' ' A' ' 82' ' ' VAL . 28.6 mt -96.21 118.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.467 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -93.36 -37.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 45.0 mttm -104.91 94.75 7.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 2.288 . . . . 0.0 112.365 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 80' ' ' CYS . 5.0 mt -66.5 -179.48 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -145.16 179.95 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.42 128.77 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -106.54 139.24 41.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.536 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 7.9 m-90 -123.53 105.59 9.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.92 -175.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -103.68 159.01 30.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.721 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.2 Cg_endo -69.72 86.72 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.66 -12.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.36 170.72 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -97.01 150.5 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.499 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 92.8 t -125.13 141.88 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -129.44 127.41 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 65' ' ' LEU . 6.3 mt -117.86 104.85 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -100.38 149.27 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.8 p -134.27 -175.2 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.1 tp10 -137.6 134.27 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -121.17 133.33 55.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -46.8 -36.43 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.693 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 4.6 ptt180 -139.43 146.47 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.3 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.894 0.378 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 2.7 t-160 -120.95 109.94 15.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.813 ' CE3' HD22 ' A' ' 65' ' ' LEU . 96.3 m95 -91.06 112.61 24.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mt -116.69 114.13 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.634 ' HB2' HD11 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -103.68 105.82 16.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 58.81 50.31 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 60.48 42.12 14.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -146.24 114.31 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.79 132.37 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.809 HD12 ' HB3' ' A' ' 41' ' ' TRP . 45.1 mt -93.62 138.24 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -112.91 116.0 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -42.37 115.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -149.85 172.8 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -45.97 -24.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -84.77 -55.68 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.404 ' HB3' HD11 ' A' ' 65' ' ' LEU . 49.1 m-85 -103.19 104.04 14.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -96.08 106.78 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 t -86.39 115.02 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 35' ' ' ALA . 45.2 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.753 0.311 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -139.74 105.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.502 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -101.94 103.51 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 47.5 ttp -102.6 148.75 25.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.813 HD22 ' CE3' ' A' ' 41' ' ' TRP . 17.6 tp -134.37 104.08 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.35 136.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.45 HD12 ' HB ' ' A' ' 26' ' ' VAL . 22.7 mt -119.96 77.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -52.48 134.66 34.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.16 81.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 100.87 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ASP . 2.9 p -84.85 159.99 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.741 HD23 HG22 ' A' ' 93' ' ' VAL . 67.1 mt -39.52 -34.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.426 ' CG ' ' N ' ' A' ' 74' ' ' ASP . 19.2 pttt -69.85 -43.15 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.1 m-20 -42.56 -32.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.937 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -55.42 119.36 5.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.36 -171.52 34.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -95.76 126.49 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.95 105.26 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.2 m -99.53 112.43 24.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 35.0 t -90.72 91.01 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 40' ' ' HIS . 3.9 tt0 -79.76 118.39 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.787 ' HB ' HD11 ' A' ' 11' ' ' ILE . 2.9 p -112.43 179.13 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.783 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.53 -72.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -34.01 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.681 ' C ' HG12 ' A' ' 82' ' ' VAL . 3.5 m -80.68 -174.66 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.5 ttpt -175.69 149.44 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 22.8 t -123.44 162.03 23.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -144.58 130.66 19.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -132.99 -178.71 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.9 m -148.68 107.63 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 92' ' ' HIS . 27.4 tp -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.619 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.3 m-70 -127.71 141.13 51.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.937 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -147.8 132.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -143.69 131.61 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.409 ' CB ' ' HG3' ' A' ' 22' ' ' PRO . 4.6 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.775 0.321 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.55 174.79 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.504 HG12 HD23 ' A' ' 32' ' ' LEU . 23.5 mt -102.93 133.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.431 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -106.7 -35.44 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 32.9 mttm -110.83 97.35 33.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 155.53 65.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 13.3 mt -62.67 -176.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -152.18 141.39 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -46.28 133.43 9.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -112.38 142.47 44.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -122.71 97.96 5.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 26' ' ' VAL . 18.0 m -122.65 -176.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -108.28 162.44 19.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.71 89.45 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.12 -12.02 2.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.89 179.14 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.44 127.74 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.486 ' CG2' HG21 ' A' ' 20' ' ' VAL . 53.5 t -97.82 139.63 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -129.7 120.02 24.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 15' ' ' LEU . 12.6 mt -111.88 88.91 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG2' ' CG ' ' A' ' 64' ' ' MET . 45.5 mtt180 -86.35 151.77 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -145.2 -176.57 5.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 11' ' ' ILE . 24.3 tt0 -132.47 140.97 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HG12 ' A' ' 11' ' ' ILE . 1.8 mt -126.94 135.54 51.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -54.05 -24.02 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' C ' HG22 ' A' ' 61' ' ' THR . 27.4 ttt180 -136.7 135.09 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.741 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 40' ' ' HIS . 7.8 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.475 ' N ' HG22 ' A' ' 39' ' ' VAL . 4.6 t-160 -116.98 103.09 9.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.663 ' HB3' HD12 ' A' ' 48' ' ' ILE . 95.9 m95 -86.22 105.16 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mt -104.88 122.77 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.577 ' HB2' HD11 ' A' ' 48' ' ' ILE . 16.2 tttm -107.11 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 65.35 47.89 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 66.92 31.41 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -137.75 114.02 10.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.41 121.4 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' A' ' 41' ' ' TRP . 53.0 mt -81.84 143.68 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -109.17 133.16 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' HG3' HG23 ' A' ' 56' ' ' VAL . 32.8 ttpt -56.92 118.02 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 52' ' ' GLN . 3.2 m -153.06 162.93 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' SER . 34.7 mm-40 -34.61 -42.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.01 -54.66 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.46 ' HB3' HD11 ' A' ' 65' ' ' LEU . 28.9 m-85 -103.98 105.04 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.83 113.17 25.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 50' ' ' LYS . 19.0 t -79.08 110.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.741 HG23 ' HB2' ' A' ' 35' ' ' ALA . 72.1 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -134.86 89.3 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.95 121.18 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.403 ' CG ' ' HG2' ' A' ' 29' ' ' ARG . 36.4 ttp -126.85 133.83 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD22 ' CE3' ' A' ' 41' ' ' TRP . 33.2 tp -113.48 105.1 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.28 141.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.932 HG21 ' OD2' ' A' ' 74' ' ' ASP . 34.7 mt -125.41 82.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.1 129.73 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 42.1 78.28 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.11 102.31 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -84.33 160.15 20.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 93' ' ' VAL . 20.8 mt -39.74 -33.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.15 -52.8 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.932 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.6 t70 -38.87 -31.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.968 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -54.42 118.4 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.54 -143.72 3.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -126.14 120.39 30.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.416 ' OH ' HD13 ' A' ' 67' ' ' ILE . 88.0 m-85 -103.69 112.26 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.932 HG23 ' O ' ' A' ' 87' ' ' SER . 45.2 m -108.27 107.85 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.565 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -84.4 86.14 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 8.6 tt0 -80.13 104.88 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.717 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.4 p -80.1 -178.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.717 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -30.06 -63.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.58 -42.47 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.435 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.5 t -77.01 178.94 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 25.9 pttt -168.54 147.19 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.932 ' O ' HG23 ' A' ' 79' ' ' THR . 37.7 t -116.14 -175.29 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.6 m -159.93 136.62 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -145.28 157.84 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 m -123.26 115.25 21.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 ' H ' ' A' ' 92' ' ' HIS . 15.9 tp -79.01 158.47 27.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.6 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.0 m-70 -140.97 130.0 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.968 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.19 133.42 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.413 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 56.1 mt-10 -153.42 136.62 15.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.886 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.808 0.337 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HA ' HG11 ' A' ' 82' ' ' VAL . . . -71.52 171.13 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.1 mt -93.29 111.83 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.528 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.27 -36.5 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 53.6 mttm -108.84 98.77 31.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.78 161.9 44.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.526 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 5.8 mt -70.57 174.72 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.31 140.69 32.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -46.18 129.95 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -107.15 144.83 33.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 9.0 m-90 -126.92 97.63 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.68 -175.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.4 161.47 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.73 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.55 -12.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.44 172.66 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.55 136.0 43.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -105.59 142.67 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -131.5 110.08 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD12 HD23 ' A' ' 65' ' ' LEU . 14.5 mt -101.23 98.52 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -94.44 154.51 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.607 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -142.96 -177.83 5.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 2.8 tp10 -133.76 141.25 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' C ' HD11 ' A' ' 12' ' ' ILE . 3.2 mt -128.81 138.6 52.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -63.73 -7.09 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 19.0 ttm180 -154.26 139.35 17.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 8.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.862 0.363 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.39 103.89 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.773 ' CE3' HD22 ' A' ' 65' ' ' LEU . 98.8 m95 -84.82 108.17 17.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.49 119.05 37.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.612 ' HB2' HD11 ' A' ' 48' ' ' ILE . 41.7 tttm -104.51 105.7 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.3 48.82 18.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 65.34 44.89 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -151.8 114.87 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.16 129.38 31.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.739 HD12 ' HB3' ' A' ' 41' ' ' TRP . 53.5 mt -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' N ' HG22 ' A' ' 48' ' ' ILE . 12.6 ptt180 -118.5 140.4 49.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -69.32 123.0 20.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -165.85 171.99 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -42.6 -37.3 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HE2' HG23 ' A' ' 67' ' ' ILE . 15.6 tptm -69.69 -54.15 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 55.2 m-85 -112.99 98.16 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.2 116.62 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.6 t -94.0 103.35 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 35' ' ' ALA . 30.1 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.789 0.328 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 62' ' ' MET . 10.6 tmm? -145.52 109.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.607 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.51 108.51 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.3 ttp -108.94 138.13 45.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.773 HD22 ' CE3' ' A' ' 41' ' ' TRP . 18.6 tp -122.94 100.3 6.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.84 134.85 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.505 HG23 ' HE2' ' A' ' 53' ' ' LYS . 18.8 mt -119.77 78.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -44.88 135.77 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.41 82.28 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.45 100.19 12.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.628 HD23 HG12 ' A' ' 93' ' ' VAL . 27.6 mt -54.22 -35.18 62.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.04 -44.71 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -35.07 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -50.05 121.34 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.18 -159.98 11.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -116.03 116.78 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -101.81 119.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 87' ' ' SER . 22.4 m -107.49 105.26 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 8.7 t -81.35 95.28 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 4.4 tt0 -92.51 124.51 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.731 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -104.6 -174.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.731 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -29.3 -70.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 -28.95 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 t -86.55 178.58 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 4.0 ptpp? -175.35 147.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 79' ' ' THR . 18.4 t -125.33 169.18 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.9 m -143.29 142.66 31.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -144.89 -178.4 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -142.12 129.73 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 75' ' ' ALA . 8.0 tp -95.99 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -123.4 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 72' ' ' LEU . 76.1 t -142.25 123.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -139.05 135.6 34.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.551 ' HB3' ' HG3' ' A' ' 83' ' ' GLU . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.802 0.334 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.07 170.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' GLU . 30.7 mt -102.15 114.76 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.35 -35.66 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttm -112.26 97.94 41.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.77 165.69 30.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 28' ' ' LEU . 3.2 mt -70.94 179.77 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -145.44 147.05 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -53.17 131.76 37.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -111.8 137.98 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -116.15 96.61 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 26' ' ' VAL . 17.2 m -120.47 -176.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.778 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -113.38 166.55 10.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.778 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.8 92.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.19 -15.45 3.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.38 172.29 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.25 135.86 43.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG22 HG11 ' A' ' 20' ' ' VAL . 51.8 t -104.18 136.07 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -125.68 113.56 17.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HB3' HD22 ' A' ' 15' ' ' LEU . 16.3 mt -109.88 100.84 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -93.65 162.24 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -156.02 -175.14 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.9 tt0 -135.1 156.77 48.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 31' ' ' GLU . 1.7 mt -142.19 137.8 31.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -63.82 -7.41 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.529 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 2.4 tpm_? -141.96 140.14 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.898 0.38 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -120.92 108.2 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.62 ' CB ' HD12 ' A' ' 48' ' ' ILE . 80.5 m95 -86.47 119.48 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.64 116.46 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 109.15 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.49 39.38 25.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 69.95 43.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -143.72 121.14 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.85 123.73 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 41' ' ' TRP . 27.4 mt -88.06 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -119.75 136.86 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -64.82 109.75 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' LYS . 5.9 p -146.14 163.98 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' SER . 3.0 mp0 -36.22 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -81.33 -51.28 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -107.37 114.76 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -104.49 125.94 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.7 105.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 35' ' ' ALA . 30.0 p . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.797 0.332 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.414 ' CE ' ' HB2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -140.72 119.14 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.63 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -115.41 128.61 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.414 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 60.5 ttp -126.8 159.57 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD22 ' CE3' ' A' ' 41' ' ' TRP . 12.1 tp -140.04 119.7 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 t -100.28 125.5 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 67' ' ' ILE . 18.7 mt -109.93 76.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 mmm-85 -45.3 133.33 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.81 81.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HA ' ' CG ' ' A' ' 74' ' ' ASP . . . -92.38 100.95 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.9 m -90.27 176.55 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.21 -30.54 11.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -69.61 -46.37 66.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -43.68 -37.47 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 121.64 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.05 -168.62 37.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' OE2' HG21 ' A' ' 88' ' ' THR . 5.4 tt0 -100.44 129.03 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -110.79 102.83 11.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -93.65 111.84 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.19 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.2 95.91 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.05 123.27 30.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.675 HG22 ' OE2' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -121.01 -174.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.675 ' OE2' HG22 ' A' ' 82' ' ' VAL . 1.4 mm-40 -32.16 -72.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.75 -25.39 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.4 174.95 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -163.74 145.0 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.9 t -133.48 166.94 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.47 HG21 ' OE2' ' A' ' 77' ' ' GLU . 5.1 m -153.3 156.17 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.99 168.86 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.4 m -126.8 120.52 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.2 tp -90.99 140.26 30.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.9 148.41 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.3 t -150.95 113.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -129.74 134.78 47.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.773 0.32 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.5 174.18 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.13 113.3 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.525 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -86.76 -36.8 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttp -107.6 97.65 20.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.77 155.57 65.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 4.8 mt -65.05 177.91 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -141.85 148.16 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.68 141.68 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -117.5 145.74 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -129.61 99.35 5.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 m -127.94 -175.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.02 161.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.79 87.95 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.2 -12.4 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -92.35 179.62 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -106.23 149.81 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.29 140.06 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -129.79 114.44 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.9 mt -107.43 94.11 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.1 mtt85 -86.55 163.21 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -154.55 -176.82 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -136.28 155.02 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.4 mt -138.42 138.61 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.5 t -61.26 -19.84 62.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.515 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 28.0 ttp180 -139.41 138.74 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.812 0.339 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -110.76 106.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.756 ' CE3' HD22 ' A' ' 65' ' ' LEU . 95.5 m95 -86.03 104.0 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 46' ' ' LYS . 7.7 mt -106.89 121.85 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.87 ' HB2' HD11 ' A' ' 48' ' ' ILE . 38.5 tttm -107.32 111.42 23.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t70 60.82 45.91 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.48 25.89 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.707 ' O ' HD23 ' A' ' 42' ' ' LEU . 7.3 mmpt? -115.82 177.79 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.2 115.55 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.87 HD11 ' HB2' ' A' ' 43' ' ' LYS . 44.3 mt -87.73 136.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 128.66 55.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -46.64 136.3 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 4.3 t -173.65 160.89 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.0 pt20 -35.71 -42.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.53 -52.18 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' HB3' HD11 ' A' ' 65' ' ' LEU . 47.7 m-85 -106.77 86.95 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.2 106.24 7.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.07 107.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.478 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 35' ' ' ALA . 71.7 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.8 ttp -147.83 104.97 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.58 137.17 37.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.478 ' HB3' HG13 ' A' ' 57' ' ' VAL . 27.6 ttp -135.3 147.79 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.756 HD22 ' CE3' ' A' ' 41' ' ' TRP . 14.9 tp -131.7 107.33 8.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.0 t -81.52 145.59 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 67' ' ' ILE . 18.4 mt -128.48 76.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -45.94 134.9 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.17 81.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.73 100.6 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 m -87.89 173.92 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.536 HD23 HG12 ' A' ' 93' ' ' VAL . 28.3 mt -50.22 -35.59 27.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -70.19 -42.39 72.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -40.05 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.615 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -45.61 132.6 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.99 -174.87 43.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -98.64 116.77 31.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.92 114.37 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 87' ' ' SER . 55.5 m -108.03 106.85 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -82.06 78.94 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.488 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 12.6 tt0 -72.81 109.91 6.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.719 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.1 p -87.69 -176.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.719 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -31.45 -59.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.86 -38.73 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.418 ' C ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -81.17 177.02 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 6.1 pttt -165.48 146.11 7.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.856 ' O ' HG23 ' A' ' 79' ' ' THR . 43.8 t -111.63 -177.81 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -160.09 128.66 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -133.01 170.32 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -135.09 107.44 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 75' ' ' ALA . 13.6 tp -80.38 147.38 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.526 ' H ' HD12 ' A' ' 91' ' ' LEU . 71.3 m80 -130.44 136.72 49.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.536 HG12 HD23 ' A' ' 72' ' ' LEU . 93.5 t -138.67 122.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.417 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 33.1 mt-10 -142.71 148.79 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.727 0.298 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.22 170.09 12.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -95.64 126.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.579 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.51 -36.89 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 28.9 mtpt -109.54 104.33 55.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.76 156.4 63.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.337 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 80' ' ' CYS . 5.4 mt -67.55 172.31 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.54 143.35 35.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.81 135.59 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -107.69 140.62 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -121.95 96.55 5.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 HG22 ' A' ' 26' ' ' VAL . 10.3 m -126.33 -174.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.41 161.63 22.43 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.579 0.704 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.75 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.55 -9.27 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -90.72 176.8 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.66 135.61 46.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG22 HG11 ' A' ' 20' ' ' VAL . 60.8 t -109.92 135.71 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -127.55 103.84 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.22 104.02 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -98.2 155.94 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -143.6 -175.76 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -135.22 138.68 43.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.8 mt -122.29 141.29 51.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.9 t -68.66 -12.51 61.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.8 123.01 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.647 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG21 ' SG ' ' A' ' 80' ' ' CYS . 3.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.882 0.373 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.5 101.02 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.933 ' CE3' HD22 ' A' ' 65' ' ' LEU . 96.4 m95 -82.61 108.41 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 mt -110.82 121.82 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 48' ' ' ILE . 9.0 tttp -110.7 91.68 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 73.71 49.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 61.55 41.17 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -145.69 116.28 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.95 120.95 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 43' ' ' LYS . 63.8 mt -80.64 140.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -107.93 114.65 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -43.27 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -150.84 168.34 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 16.2 pt20 -36.07 -43.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -55.88 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' HB3' HD11 ' A' ' 65' ' ' LEU . 33.8 m-85 -106.68 108.39 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -99.68 101.09 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.69 101.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.647 HG23 ' HB2' ' A' ' 35' ' ' ALA . 71.7 p . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.5 ttp -144.4 105.4 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.42 117.43 34.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.2 ttp -113.33 134.06 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.933 HD22 ' CE3' ' A' ' 41' ' ' TRP . 38.7 tp -116.87 102.62 9.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -78.91 142.68 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.4 mt -127.58 80.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -48.36 137.12 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.37 82.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' PRO . . . -89.91 99.98 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 m -85.66 174.94 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 93' ' ' VAL . 7.5 mt -53.04 -29.71 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.458 ' N ' ' HE3' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -71.02 -40.3 71.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.54 -35.55 53.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.38 115.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.64 -165.61 25.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.2 138.94 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -120.22 107.2 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 84.8 m -101.13 109.43 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.432 ' SG ' HG21 ' A' ' 39' ' ' VAL . 1.8 t -88.79 87.94 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -78.26 110.75 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.767 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.1 p -99.42 -179.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.767 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -33.17 -60.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.402 ' H ' ' CD ' ' A' ' 83' ' ' GLU . . . -125.15 -42.05 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.1 m -75.57 -178.8 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.7 ttpp -175.22 144.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -117.23 179.01 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.0 m -163.02 128.86 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.48 -177.75 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.0 m -144.87 118.35 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 92' ' ' HIS . 13.8 tp -80.51 144.81 32.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.419 ' H ' HD12 ' A' ' 91' ' ' LEU . 83.7 m-70 -127.27 124.55 39.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.415 ' O ' HD23 ' A' ' 72' ' ' LEU . 92.7 t -125.41 114.12 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.79 130.93 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.733 ' HB2' ' HE ' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.806 0.336 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.04 170.64 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.496 HD11 ' HB ' ' A' ' 82' ' ' VAL . 24.5 mt -97.85 121.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.524 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.89 -36.54 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 48.1 mttm -108.94 98.25 28.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.942 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_endo -69.74 158.25 57.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 28' ' ' LEU . 15.9 mt -64.14 176.26 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 28.3 mp0 -140.09 141.09 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -51.27 118.03 2.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -92.57 144.21 25.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -126.73 108.36 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.407 HG11 HG22 ' A' ' 26' ' ' VAL . 13.4 m -137.71 -175.99 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.709 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.29 164.04 15.66 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.099 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.76 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.66 -7.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -96.96 171.83 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -95.87 165.27 12.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.495 ' HB ' HD12 ' A' ' 67' ' ' ILE . 95.1 t -139.34 146.01 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.65 117.83 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.9 mt -111.66 98.3 7.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -92.56 148.79 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -137.8 -177.61 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -136.75 151.37 49.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' C ' HD11 ' A' ' 12' ' ' ILE . 5.2 mt -135.09 140.85 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -59.27 -24.99 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.733 ' HE ' ' HB2' ' A' ' 9' ' ' ALA . 2.6 tmm_? -148.2 141.44 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.489 HG11 ' HE1' ' A' ' 41' ' ' TRP . 4.2 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.848 0.356 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 1.8 t-160 -121.18 101.24 7.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.786 ' HB3' HD12 ' A' ' 48' ' ' ILE . 99.0 m95 -88.38 103.9 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.34 130.34 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -113.68 105.72 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.36 45.38 20.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 69.11 44.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -147.72 127.14 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 111.66 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.786 HD12 ' HB3' ' A' ' 41' ' ' TRP . 78.8 mt -71.43 145.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 mtt85 -120.47 126.26 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.58 112.44 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 8.6 t -150.19 167.74 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 42.3 tt0 -35.35 -35.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -76.31 -56.54 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -101.21 110.75 22.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.49 96.51 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 p -89.77 120.05 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.49 HG23 ' HB2' ' A' ' 35' ' ' ALA . 72.5 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.403 ' O ' ' SD ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -153.16 112.18 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -113.97 143.96 43.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.0 ttp -140.08 158.21 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD22 ' CE3' ' A' ' 41' ' ' TRP . 8.1 tp -140.08 113.04 8.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.89 147.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' HB ' ' A' ' 26' ' ' VAL . 17.2 mt -129.87 88.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -61.07 136.39 58.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.42 77.7 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HA ' ' CG ' ' A' ' 74' ' ' ASP . . . -88.71 101.32 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.9 m -94.91 173.5 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -46.05 -31.67 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -71.58 -52.91 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.403 ' CG ' ' HA ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -38.18 -34.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -56.4 117.92 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -166.67 26.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -98.67 127.06 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -110.51 102.75 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.1 m -89.28 111.01 21.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -90.73 83.22 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 40' ' ' HIS . 5.7 tm-20 -75.17 140.69 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.7 p -133.57 179.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.744 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -32.95 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.31 -40.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.725 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.4 m -76.98 -176.98 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.9 ttpt -175.97 148.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.463 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 8.7 t -123.39 158.83 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.5 m -146.57 127.75 14.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.52 -177.58 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 m -145.66 106.51 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 75' ' ' ALA . 21.4 tp -71.77 145.2 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.73 126.54 43.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.419 HG13 ' C ' ' A' ' 21' ' ' ALA . 88.7 t -130.27 114.09 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -128.98 142.3 50.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.339 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.49 169.45 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -98.42 126.62 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -101.24 -36.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 78.9 mttt -105.75 96.42 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.78 157.16 61.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.7 mt -66.57 176.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -142.47 154.19 44.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -60.47 127.69 32.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -102.24 150.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -131.71 95.86 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.447 HG21 ' CG2' ' A' ' 26' ' ' VAL . 23.1 m -125.81 -174.89 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.769 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -109.42 165.88 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.769 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.7 91.13 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.9 -4.89 3.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -91.42 168.86 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -103.77 118.06 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' HB ' HD12 ' A' ' 67' ' ' ILE . 90.2 t -93.3 141.23 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.05 111.3 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.746 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.3 mt -103.62 107.61 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -97.16 150.75 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.982 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 27.7 p -137.18 -177.63 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.8 tp10 -138.52 142.21 39.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -127.83 136.12 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -60.05 -12.76 8.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -155.39 139.65 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.559 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 3.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.935 ' CE3' HD22 ' A' ' 65' ' ' LEU . 91.5 m95 -85.11 115.87 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.4 mt -117.92 144.13 45.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 48' ' ' ILE . 13.6 tttm -122.33 87.37 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 74.93 43.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 74.69 25.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -119.97 137.19 54.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -73.03 115.93 12.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' C ' ' A' ' 41' ' ' TRP . 39.3 mt -89.43 144.26 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -122.77 136.46 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -55.53 131.58 46.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 p -159.17 -176.95 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -58.84 -17.03 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.61 -51.58 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.453 ' HB3' HD11 ' A' ' 65' ' ' LEU . 49.0 m-85 -105.13 96.28 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.42 114.21 23.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -93.76 101.69 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.591 HG23 ' HB2' ' A' ' 35' ' ' ALA . 45.9 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -145.29 106.55 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.982 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -103.66 105.58 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 41.4 ttp -104.49 150.92 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.935 HD22 ' CE3' ' A' ' 41' ' ' TRP . 47.6 tp -132.66 99.1 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 t -80.15 126.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.461 HD12 ' HB ' ' A' ' 26' ' ' VAL . 17.9 mt -109.36 79.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' GLY . 11.7 mmt180 -46.96 139.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 35.25 80.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.46 101.01 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.94 164.78 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.541 HD23 HG22 ' A' ' 93' ' ' VAL . 11.2 mt -47.02 -25.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -76.29 -42.18 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.61 -32.6 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.018 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -51.21 122.34 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.09 -162.08 24.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -105.51 123.29 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -103.23 102.08 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.435 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 51.6 m -97.25 111.73 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.91 90.91 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -82.27 116.99 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.802 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.6 p -108.3 -174.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.802 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -30.31 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.45 -30.24 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.487 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.3 t -82.61 -177.67 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.8 ttpp -176.11 147.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -124.23 166.02 16.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.6 m -146.32 138.38 25.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -141.62 -177.26 5.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 111.31 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.42 132.27 37.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.28 132.37 56.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.018 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.64 135.06 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -145.16 131.84 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.721 ' HB3' ' CD ' ' A' ' 83' ' ' GLU . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.799 0.333 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.39 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 31' ' ' GLU . 31.3 mt -95.42 111.07 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.551 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -83.76 -37.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 49.4 mttt -107.66 93.23 9.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 28' ' ' LEU . 3.8 mt -60.49 175.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -144.12 145.07 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.48 123.36 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -101.04 147.54 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.4 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 9.9 m-90 -128.87 98.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.624 HG11 HG22 ' A' ' 26' ' ' VAL . 20.2 m -124.34 -177.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.75 163.08 17.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 111.091 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.4 Cg_endo -69.78 90.58 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.98 -12.79 3.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.38 172.54 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.85 146.25 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.624 HG22 HG11 ' A' ' 20' ' ' VAL . 61.5 t -117.43 141.48 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -127.73 103.36 7.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.6 ' HB3' HD22 ' A' ' 15' ' ' LEU . 7.8 mt -93.11 91.93 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -92.29 154.28 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -148.65 -175.74 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.5 tp10 -129.48 154.27 47.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 31' ' ' GLU . 2.6 mt -141.22 137.71 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -57.36 -18.6 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -139.82 153.6 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' HG22 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.8 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.859 0.362 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -132.41 110.84 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.678 ' CE3' HD22 ' A' ' 65' ' ' LEU . 97.8 m95 -91.89 108.75 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.39 126.59 52.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.749 ' HB2' HD11 ' A' ' 48' ' ' ILE . 17.8 tptp -110.13 103.75 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 57.63 45.67 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 3.9 mmm180 68.99 43.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -150.68 116.64 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 122.33 10.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 43' ' ' LYS . 49.2 mt -86.18 143.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -107.64 138.79 43.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -63.0 138.97 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.1 p -174.69 166.38 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -41.92 -24.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' SER . 2.5 tppp? -84.62 -52.97 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -107.52 84.73 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.55 109.6 9.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -89.85 117.49 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.559 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 35' ' ' ALA . 7.6 p . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ttp -135.01 93.77 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.579 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -87.97 124.6 33.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.559 ' HB3' HG13 ' A' ' 57' ' ' VAL . 36.7 ttp -125.31 148.16 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.678 HD22 ' CE3' ' A' ' 41' ' ' TRP . 40.2 tp -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.66 138.55 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 67' ' ' ILE . 18.9 mt -123.17 74.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -47.17 133.14 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.61 80.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.1 99.86 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.4 m -90.93 170.38 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.875 HD23 HG12 ' A' ' 93' ' ' VAL . 38.8 mt -52.22 -19.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -81.16 -40.6 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.78 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.6 116.71 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.38 -165.87 27.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -98.43 131.74 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -114.43 100.55 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 38.9 m -92.07 109.99 21.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.463 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 7.1 t -88.61 91.95 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -83.75 123.04 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.704 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -112.33 -174.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.721 ' CD ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -32.47 -58.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -133.24 -33.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.453 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -79.41 178.79 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 11.7 ttpp -169.82 149.21 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -130.38 143.49 50.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.5 m -122.55 141.4 51.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.96 -176.74 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.9 m -146.3 123.11 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -89.66 136.9 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 96.5 m-70 -116.54 138.8 51.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.875 HG12 HD23 ' A' ' 72' ' ' LEU . 45.2 t -140.98 121.42 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.417 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 5.6 mm-40 -143.45 151.34 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.792 0.329 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 175.72 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' GLU . 15.1 mt -97.92 122.09 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.535 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -89.48 -35.28 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 17.5 mtpp -110.46 100.96 47.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.696 . . . . 0.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.9 Cg_endo -69.76 156.59 62.96 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 28' ' ' LEU . 48.9 mt -66.46 158.23 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -119.62 174.74 6.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -84.42 143.24 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' HD12 ' A' ' 91' ' ' LEU . 8.4 mp0 -125.26 131.52 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.436 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 29.9 m-90 -116.46 107.34 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -130.41 -175.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.639 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -103.18 161.93 21.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.7 87.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.22 -12.24 1.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -92.39 176.44 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -100.23 155.23 17.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.5 t -128.51 137.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -125.88 135.06 51.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.9 mt -130.22 97.77 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 13.7 mtp180 -88.61 152.72 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.1 p -139.44 -176.9 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.3 tt0 -140.47 146.56 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' C ' HD11 ' A' ' 12' ' ' ILE . 4.6 mt -130.11 131.47 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 42.3 t -54.26 -25.07 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -141.96 141.11 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.596 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.594 HG11 ' NE1' ' A' ' 41' ' ' TRP . 3.7 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.44 ' H ' HG22 ' A' ' 39' ' ' VAL . 2.2 t-160 -129.9 79.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.953 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.4 m95 -61.18 112.57 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mt -113.06 128.24 56.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -113.23 103.92 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.38 45.1 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 68.82 42.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -146.41 129.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 118.74 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.884 HD12 ' HB3' ' A' ' 41' ' ' TRP . 76.3 mt -78.93 144.58 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -106.68 164.79 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -105.42 112.31 25.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -158.81 -178.43 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -41.17 -36.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' NZ ' HG23 ' A' ' 67' ' ' ILE . 16.7 tptp -73.46 -62.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -103.01 107.95 18.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.03 98.75 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -89.42 117.08 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.455 ' O ' HG12 ' A' ' 57' ' ' VAL . 69.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 35' ' ' ALA . 68.5 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.742 0.306 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.513 ' CE ' ' C ' ' A' ' 63' ' ' ALA . 1.5 tpt -151.45 105.01 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.513 ' C ' ' CE ' ' A' ' 62' ' ' MET . . . -119.72 127.62 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.498 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 64.3 ttp -125.2 169.09 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.953 HD22 ' CE3' ' A' ' 41' ' ' TRP . 29.6 tp -143.76 108.83 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.86 138.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.45 HG23 ' NZ ' ' A' ' 53' ' ' LYS . 25.4 mt -122.51 95.95 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -63.58 133.7 54.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.08 78.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 101.88 12.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.8 m -88.76 171.97 9.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.489 HD23 HG12 ' A' ' 93' ' ' VAL . 45.0 mt -49.81 -38.82 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -70.37 -46.53 63.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -44.53 -33.7 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.95 117.55 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -158.36 -157.2 8.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.97 114.55 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -96.97 111.35 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 87' ' ' SER . 61.4 m -104.27 107.97 19.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.57 ' SG ' ' CE3' ' A' ' 41' ' ' TRP . 1.5 m -87.31 83.48 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.503 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 7.1 tt0 -75.99 121.0 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.745 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -102.06 -175.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.745 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.03 -68.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.76 -28.58 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.442 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.1 t -88.29 -177.96 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 11.7 pttp -174.67 142.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 79' ' ' THR . 42.0 t -110.93 170.16 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.4 m -152.2 133.34 14.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.74 170.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 m -133.92 106.32 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 92' ' ' HIS . 24.0 tp -77.43 150.45 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.71 ' H ' HD12 ' A' ' 91' ' ' LEU . 54.2 m80 -133.01 137.29 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG12 HD23 ' A' ' 72' ' ' LEU . 80.9 t -137.43 117.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -137.36 142.63 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.757 0.313 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.757 ' HB1' ' OG ' ' A' ' 85' ' ' SER . . . -65.54 167.38 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.6 mt -93.76 116.44 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.549 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -84.96 -35.92 10.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 18.9 mtpt -107.92 101.63 41.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.79 156.56 62.97 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.67 -176.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -148.77 177.5 9.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.09 126.19 34.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -100.8 137.74 38.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -119.71 97.6 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.91 -174.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.71 163.42 17.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.694 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.76 89.99 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -14.09 1.84 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -89.05 168.25 12.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -100.17 130.22 46.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -100.18 145.76 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.48 114.94 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.83 99.54 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -92.98 163.72 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.7 p -152.35 -175.83 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 11' ' ' ILE . 13.1 tt0 -136.75 150.4 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.2 mt -132.95 132.06 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.445 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 28.9 t -56.46 -17.74 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -154.3 141.48 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.501 HG11 ' NE1' ' A' ' 41' ' ' TRP . 2.8 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.351 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -122.41 96.38 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.673 ' HB3' HD12 ' A' ' 48' ' ' ILE . 94.7 m95 -79.26 116.31 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.7 mt -117.25 120.46 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HB2' HD11 ' A' ' 48' ' ' ILE . 20.6 tttp -102.61 92.52 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 71.65 49.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 62.29 38.74 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -144.21 119.89 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -53.69 126.33 21.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' A' ' 41' ' ' TRP . 57.5 mt -87.32 144.09 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.86 133.33 53.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.82 136.91 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -172.05 161.76 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.7 tt0 -38.24 -31.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -77.58 -54.11 6.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -105.5 85.4 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.98 114.72 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.42 112.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.552 HG23 ' HB2' ' A' ' 35' ' ' ALA . 81.5 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.745 0.307 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.2 ttp -143.72 105.16 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -94.23 134.88 36.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.534 ' HB3' HG13 ' A' ' 57' ' ' VAL . 34.1 ttp -131.34 150.5 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.551 HD22 ' CE3' ' A' ' 41' ' ' TRP . 41.1 tp -134.67 103.01 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.18 142.1 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 67' ' ' ILE . 18.0 mt -125.39 74.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -44.67 134.83 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.12 81.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.12 100.91 13.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -91.9 166.64 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.629 HD23 HG12 ' A' ' 93' ' ' VAL . 40.9 mt -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -69.12 -46.84 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.53 -43.14 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.9 130.16 9.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.66 -170.19 38.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -98.15 128.75 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -111.26 100.3 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -97.38 111.47 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -91.03 87.03 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -78.32 94.93 4.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -84.44 -178.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.794 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -26.83 -72.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -33.8 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.757 ' OG ' ' HB1' ' A' ' 10' ' ' ALA . 20.3 m -78.14 -179.99 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 87' ' ' SER . 8.6 ttpt -175.68 143.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.4 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 4.5 t -124.3 165.81 17.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 m -143.54 135.86 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.64 173.04 11.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.1 p -138.57 113.36 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' H ' ' A' ' 92' ' ' HIS . 23.4 tp -81.72 144.15 31.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.481 ' H ' HD12 ' A' ' 91' ' ' LEU . 30.5 m80 -124.68 145.04 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 72' ' ' LEU . 55.5 t -144.35 121.72 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -136.96 137.34 39.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.802 0.334 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 85' ' ' SER . . . -57.94 171.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.4 mt -97.99 123.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.5 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -92.0 -35.77 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 3.0 mtpm? -109.63 102.4 49.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_endo -69.75 157.04 61.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 28' ' ' LEU . 80.5 mt -64.28 178.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -146.38 145.38 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.0 127.38 23.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -104.23 135.18 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 10.1 m-90 -121.94 103.08 8.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.44 HG11 HG22 ' A' ' 26' ' ' VAL . 9.3 m -129.0 -174.76 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.31 162.49 19.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.2 Cg_endo -69.74 88.26 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.58 -10.94 2.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -90.89 174.12 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.36 137.79 41.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG11 ' A' ' 20' ' ' VAL . 53.1 t -109.38 136.01 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -126.8 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB3' HD22 ' A' ' 15' ' ' LEU . 8.8 mt -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 29' ' ' ARG . 27.2 mtm105 -97.16 146.05 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -135.19 -175.51 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -138.15 136.68 36.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.6 mt -121.42 134.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 14.9 t -56.39 -19.53 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.539 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 16.1 ttm180 -144.7 138.82 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.702 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.561 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 9.8 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -100.74 96.45 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.698 ' HB3' HD12 ' A' ' 48' ' ' ILE . 96.3 m95 -77.74 112.92 15.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.02 118.27 33.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.661 ' HB2' HD11 ' A' ' 48' ' ' ILE . 40.5 tttt -107.39 102.57 11.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 63.43 47.45 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 62.16 45.1 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -149.21 116.99 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.23 124.52 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.698 HD12 ' HB3' ' A' ' 41' ' ' TRP . 55.9 mt -87.61 138.47 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -111.78 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -51.32 125.23 13.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 52' ' ' GLN . 59.5 p -161.13 171.54 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.4 tt0 -37.7 -43.06 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -67.78 -57.93 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.645 ' HB3' HD11 ' A' ' 65' ' ' LEU . 47.8 m-85 -100.13 117.2 33.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.26 95.24 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.53 107.25 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 35' ' ' ALA . 73.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.834 0.35 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 ttp -153.31 114.85 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -107.87 110.09 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.7 ttp -109.5 128.28 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 54' ' ' TYR . 29.6 tp -111.93 102.7 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.14 118.91 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.6 mt -104.6 79.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -46.71 140.66 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.72 82.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.14 100.12 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.0 m -89.09 168.71 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.1 mt -43.12 -42.36 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.42 -52.05 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.71 -37.7 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.96 119.95 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.44 -167.23 30.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -96.25 133.63 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -116.49 100.32 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.9 m -97.46 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.37 90.25 7.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.14 113.91 19.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.822 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -108.58 -177.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.822 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.2 -73.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.65 -34.0 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.789 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -81.88 176.48 9.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' A' ' 87' ' ' SER . 6.3 ttpt -175.59 147.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.488 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 19.4 t -122.39 174.58 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.4 m -155.35 132.62 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.82 170.4 15.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -133.95 122.69 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.597 HD12 ' H ' ' A' ' 92' ' ' HIS . 22.5 tp -85.16 146.66 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.597 ' H ' HD12 ' A' ' 91' ' ' LEU . 73.2 m-70 -128.54 133.39 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.35 118.29 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.59 132.77 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' CA ' ' HG2' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.798 0.333 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.28 155.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' GLU . 11.7 mt -93.59 119.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.04 -36.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 46.2 mttm -107.37 95.96 14.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.7 158.82 55.7 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.6 mt -66.4 -177.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 42.9 mp0 -144.42 148.24 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -56.6 120.21 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.592 HE21 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -101.86 137.34 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 29.8 m-90 -120.08 104.07 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -127.94 -177.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -104.79 162.02 21.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.71 87.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.71 -11.32 1.7 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -91.69 170.4 9.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.811 0.338 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.3 143.56 26.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.41 135.49 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -129.57 120.45 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.592 HD23 HE21 ' A' ' 18' ' ' GLN . 5.6 mt -116.31 100.43 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -93.59 150.98 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -141.33 -175.09 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.8 tp10 -136.56 150.26 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 61' ' ' THR . 2.2 mt -133.64 143.99 48.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -57.21 -33.64 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.501 ' C ' HG22 ' A' ' 61' ' ' THR . 5.3 ptm180 -142.69 146.49 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 6.0 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.863 0.363 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.517 ' NE2' HD21 ' A' ' 42' ' ' LEU . 19.3 t60 -112.03 105.01 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.676 ' CD2' HD22 ' A' ' 65' ' ' LEU . 84.5 m95 -85.84 115.67 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.3 mt -118.03 119.26 34.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -98.84 95.04 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.87 53.72 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 64.45 46.4 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -148.84 117.94 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -63.87 122.26 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 41' ' ' TRP . 52.8 mt -84.09 141.69 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -104.13 146.28 28.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 16.0 ttmt -84.03 124.45 31.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 53' ' ' LYS . 20.6 p -163.79 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -38.81 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -81.43 -63.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.41 ' CD2' ' HG3' ' A' ' 53' ' ' LYS . 83.7 m-85 -99.26 112.64 24.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -103.68 100.44 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -98.54 105.23 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.456 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' LEU . 73.3 p . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.792 0.329 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.1 ttp -134.82 95.6 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.69 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.01 124.3 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.456 ' HB3' HG13 ' A' ' 57' ' ' VAL . 59.7 ttp -128.81 149.49 50.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.676 HD22 ' CD2' ' A' ' 41' ' ' TRP . 18.9 tp -132.89 116.85 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.6 t -96.85 140.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.9 mt -125.4 86.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -50.03 135.02 21.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.89 82.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.24 100.63 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -81.96 167.18 19.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 HG12 ' A' ' 93' ' ' VAL . 37.5 mt -44.08 -38.74 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptp? -63.65 -50.13 70.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' LYS . 1.1 m-20 -36.28 -41.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.37 143.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.17 178.11 35.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.46 119.8 31.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.94 99.69 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -89.81 110.33 21.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.49 ' SG ' HG21 ' A' ' 39' ' ' VAL . 1.5 m -84.93 81.32 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.53 128.34 35.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.686 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -127.87 -174.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.686 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -32.21 -72.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.67 -27.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.605 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.4 m -80.69 172.27 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 85' ' ' SER . 26.3 mtmt -162.92 148.51 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 t -140.14 145.03 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -154.66 142.34 19.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -104.7 117.98 35.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.1 tp -90.97 133.66 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 37.8 m80 -116.71 126.7 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.405 HG12 HD23 ' A' ' 72' ' ' LEU . 60.5 t -127.34 108.96 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -139.9 137.8 35.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.794 0.331 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.23 168.28 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 82' ' ' VAL . 31.7 mt -95.99 126.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.421 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -101.87 -35.57 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 98.0 mttt -110.34 98.36 35.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.81 156.4 63.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.7 mt -67.88 176.46 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -141.88 142.9 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -44.31 143.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.52 140.05 51.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CE2' ' ND1' ' A' ' 92' ' ' HIS . 11.6 m-90 -126.15 99.53 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG11 HG22 ' A' ' 26' ' ' VAL . 19.2 m -127.94 -175.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.2 161.38 23.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.355 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -8.53 1.64 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -93.01 175.14 6.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -102.73 143.3 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG22 HG11 ' A' ' 20' ' ' VAL . 55.5 t -119.29 145.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -135.58 118.78 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.741 ' HB3' HD22 ' A' ' 15' ' ' LEU . 9.7 mt -111.4 95.8 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -90.31 152.52 21.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -140.82 -179.08 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tp10 -132.92 140.29 47.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.9 mt -126.39 140.5 52.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -64.44 -11.18 30.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -153.35 132.16 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.722 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.846 0.355 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -106.64 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.517 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 96.3 m95 -87.38 118.83 27.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 46' ' ' LYS . 6.3 mt -119.24 131.95 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.769 ' HB2' HD11 ' A' ' 48' ' ' ILE . 8.9 tttm -114.48 104.69 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 63.64 45.12 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 68.91 26.33 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.617 ' O ' HD23 ' A' ' 42' ' ' LEU . 9.2 ptpt -114.03 159.6 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.28 114.94 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.769 HD11 ' HB2' ' A' ' 43' ' ' LYS . 25.3 mt -90.78 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -124.5 131.61 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -50.76 119.22 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -150.3 169.89 20.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.654 ' HB3' HD11 ' A' ' 65' ' ' LEU . 41.1 m-85 -93.73 99.78 12.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 108.42 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.55 110.46 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.722 HG23 ' HB2' ' A' ' 35' ' ' ALA . 41.3 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.798 0.333 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.2 ttp -149.26 106.02 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.592 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -102.19 104.28 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.0 ttp -109.02 138.96 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 54' ' ' TYR . 15.6 tp -122.14 106.72 11.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.61 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 67' ' ' ILE . 16.6 mt -111.87 74.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -44.45 138.2 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.98 81.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.82 102.09 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.6 m -96.67 169.46 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.841 HD23 HG12 ' A' ' 93' ' ' VAL . 42.1 mt -40.01 -38.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -63.24 -54.88 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -40.14 -42.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.95 119.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.43 169.1 41.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.78 128.22 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.77 110.3 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.2 m -103.77 111.6 24.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.517 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -88.76 84.11 6.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.37 104.06 4.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.769 HG22 ' H ' ' A' ' 83' ' ' GLU . 3.2 p -93.98 177.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.769 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -29.2 -69.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.97 -38.83 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.693 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -77.72 -175.87 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 17.7 ttpt -176.27 142.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -114.92 168.35 9.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 m -152.75 124.5 7.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.204 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.12 158.33 44.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.9 t -118.09 132.8 56.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.67 138.85 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.517 ' ND1' ' CE2' ' A' ' 19' ' ' TRP . 16.5 m80 -117.4 142.24 47.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.841 HG12 HD23 ' A' ' 72' ' ' LEU . 72.6 t -140.5 116.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -138.75 131.95 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -101.5 100.86 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.906 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -81.41 166.3 20.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.76 105.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -38.79 138.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -51.76 144.02 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.73 84.92 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.49 2.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . -123.3 23.32 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -57.71 166.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.497 HG12 HD23 ' A' ' 32' ' ' LEU . 74.0 mt -95.25 118.64 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.444 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -94.0 -36.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 97.4 mttt -106.33 96.03 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.73 157.29 60.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 28' ' ' LEU . 5.0 mt -66.99 -176.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 32.4 mt-10 -148.51 166.5 28.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -69.61 121.82 17.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.617 HE21 HD23 ' A' ' 28' ' ' LEU . 1.8 mp0 -103.73 142.46 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -122.48 107.05 11.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 m -132.12 -175.52 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.06 162.0 21.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 111.088 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.638 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.3 Cg_endo -69.71 85.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.89 -6.83 1.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -92.82 164.23 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.97 132.33 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.25 136.71 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.44 113.01 15.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.617 HD23 HE21 ' A' ' 18' ' ' GLN . 6.8 mt -105.62 98.91 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -91.48 163.45 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.663 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.7 p -152.52 -176.4 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.5 tp10 -137.46 138.51 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD23 HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -125.76 144.58 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -63.8 -9.17 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -157.56 152.33 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.44 173.98 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.18 46.78 90.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.604 HG23 ' HD2' ' A' ' 38' ' ' PRO . 85.8 m -126.68 138.23 32.07 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.105 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 37' ' ' THR . 53.9 Cg_endo -69.81 147.79 63.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.22 160.73 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -134.83 107.15 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CD2' HD22 ' A' ' 65' ' ' LEU . 99.1 m95 -87.91 112.45 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -109.63 116.8 32.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.93 ' HB2' HD11 ' A' ' 48' ' ' ILE . 1.8 tmtt? -111.59 113.52 25.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.442 ' CG ' ' HD3' ' A' ' 43' ' ' LYS . 85.1 m-20 63.61 41.08 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 63.8 31.54 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -129.62 136.91 50.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.03 124.03 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.93 HD11 ' HB2' ' A' ' 43' ' ' LYS . 24.1 mt -93.9 153.66 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -125.08 126.12 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -51.28 119.38 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 57.7 p -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.7 tp60 -35.73 -50.05 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.19 -62.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.524 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 48.0 m-85 -93.18 106.98 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -100.21 96.96 7.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.4 t -73.96 100.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t -99.65 91.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 32.6 t -90.56 94.49 9.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 60' ' ' GLY . 6.4 mm-40 -105.74 -174.99 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' THR . . . -37.24 104.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLY . 34.6 p 36.99 42.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -145.5 121.88 10.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.663 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -112.41 105.89 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.4 ttp -107.95 142.32 38.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.591 HD22 ' CD2' ' A' ' 41' ' ' TRP . 38.8 tp -126.05 109.48 12.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 t -87.4 121.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 67' ' ' ILE . 16.6 mt -106.78 74.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -43.16 135.93 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.96 82.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 101.97 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 m -84.13 169.6 14.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 mt -49.25 -28.42 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -75.17 -43.94 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' O ' ' CE ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -44.58 -24.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.15 123.14 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.46 37.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -93.18 109.25 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.394 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -89.29 113.08 24.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.3 m -108.47 107.81 18.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 t -81.31 87.32 6.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.93 99.8 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.777 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.9 p -96.22 -177.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.777 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -30.97 -71.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.45 -30.98 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.1 t -73.71 179.05 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 17.7 mtmm -166.83 140.87 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.5 t -131.42 134.88 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.8 m -119.49 146.39 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -154.76 169.45 23.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -127.59 120.08 27.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.65 HD12 ' H ' ' A' ' 92' ' ' HIS . 22.8 tp -88.66 146.49 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.65 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.8 m-70 -125.12 151.0 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.2 t -157.38 112.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.434 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 38.4 mt-10 -134.35 144.07 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.51 148.92 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -86.58 155.33 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.07 81.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -93.76 110.28 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -169.52 -165.52 27.03 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -20.22 35.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.8 p -168.09 164.84 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.7 p -139.04 152.99 48.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -147.15 125.21 12.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 p -43.92 155.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.63 -159.5 18.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -88.52 158.77 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -99.59 129.29 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.24 86.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 157.66 59.75 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.41 21.03 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -47.8 164.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.0 mt -97.31 130.29 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -103.78 -35.97 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 63.2 mttm -109.77 97.14 27.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.535 0.684 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.9 Cg_endo -69.7 162.66 41.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 28' ' ' LEU . 4.5 mt -70.82 172.82 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -138.18 146.78 43.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.23 126.81 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -98.66 147.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -131.33 95.54 3.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.68 -176.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.7 164.48 14.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.1 Cg_endo -69.72 87.62 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.63 -10.98 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.53 176.24 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -100.97 148.71 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.39 147.97 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.06 125.4 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.813 ' HB3' HD22 ' A' ' 15' ' ' LEU . 15.5 mt -121.89 90.29 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 29' ' ' ARG . 17.0 mtm105 -88.58 151.96 22.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.787 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 6.4 p -141.26 -175.94 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 11' ' ' ILE . 14.6 tt0 -135.1 144.91 47.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 11' ' ' ILE . 6.4 mt -131.6 131.87 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -51.23 -28.71 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' C ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -133.86 143.52 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.988 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -96.54 125.77 41.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.33 -27.44 2.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.553 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -79.22 124.08 84.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.595 0.712 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.36 60.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.27 . . . . 0.0 112.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.541 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 4.0 p -101.44 146.86 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.41 106.22 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.613 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.8 m95 -88.68 107.94 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.19 119.87 40.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HB2' HD11 ' A' ' 48' ' ' ILE . 35.1 tttm -108.12 102.0 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.99 51.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 57.38 45.69 19.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -149.71 122.15 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 125.73 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 43' ' ' LYS . 35.6 mt -88.54 148.43 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -111.96 133.46 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -64.87 111.27 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.6 t -154.42 169.4 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.5 pt20 -34.51 -36.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HZ2' HG23 ' A' ' 67' ' ' ILE . 18.5 tptp -70.0 -59.78 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' HB3' HD11 ' A' ' 65' ' ' LEU . 60.0 m-85 -109.22 122.13 46.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.62 113.99 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.03 103.23 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -103.55 99.94 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 39.8 t -110.59 100.91 9.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 60' ' ' GLY . 12.8 mm-40 -145.14 153.69 41.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 37.19 54.54 1.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.988 HG23 ' HB2' ' A' ' 35' ' ' ALA . 52.5 p 49.58 46.01 23.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.778 0.323 . . . . 0.0 111.087 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.7 ttp -142.91 105.09 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.787 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -97.01 114.11 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.413 ' CG ' ' HG2' ' A' ' 29' ' ' ARG . 59.8 ttp -117.78 137.11 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.613 HD22 ' CE3' ' A' ' 41' ' ' TRP . 53.6 tp -119.62 101.01 7.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -81.71 129.15 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.571 HG23 ' HZ2' ' A' ' 53' ' ' LYS . 14.0 mt -117.16 86.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -56.36 135.72 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.25 81.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.47 102.04 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.6 m -83.14 167.98 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD23 HG12 ' A' ' 93' ' ' VAL . 26.9 mt -53.99 -23.78 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -83.73 -36.23 23.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' OD2' ' NZ ' ' A' ' 53' ' ' LYS . 2.8 m-20 -51.35 -22.14 2.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 120.38 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.2 -172.73 33.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -98.98 130.62 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -111.81 112.02 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.0 m -100.48 108.09 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.25 77.45 9.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.02 116.65 8.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.783 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.3 p -109.65 -178.4 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.783 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.13 -69.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.1 -32.33 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.463 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.1 t -73.06 -175.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -166.42 147.01 6.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -134.82 128.62 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -115.8 148.0 40.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -159.14 163.21 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -126.09 131.0 52.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -97.45 137.11 36.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -117.58 144.93 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.481 HG12 HD23 ' A' ' 72' ' ' LEU . 75.1 t -141.06 107.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -132.38 136.73 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -83.31 170.11 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' O ' ' CD ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -102.12 -11.48 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.8 157.7 29.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 t -75.18 132.17 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.16 -179.28 39.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 89.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 0.0 112.39 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.8 m 49.11 39.17 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.9 m -106.94 156.83 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 m -81.11 100.89 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -94.95 134.13 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.95 -93.92 0.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -145.09 127.2 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -84.17 89.75 7.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.52 -97.04 2.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.86 65.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.653 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . -84.38 44.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' ' OG ' ' A' ' 85' ' ' SER . . . -71.51 169.73 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.721 HD11 ' HB ' ' A' ' 82' ' ' VAL . 65.2 mt -97.04 106.84 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.568 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -80.17 -37.73 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 68.5 mttt -105.66 93.75 7.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.907 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.79 155.88 64.72 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 28' ' ' LEU . 16.5 mt -62.09 176.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -144.29 162.81 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.4 127.09 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -103.03 149.48 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -133.0 97.29 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.2 m -128.31 -176.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.1 161.19 23.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.619 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.74 87.08 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.8 -11.32 1.09 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -90.6 178.45 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.86 125.43 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.429 ' HB ' HD12 ' A' ' 67' ' ' ILE . 91.0 t -94.25 144.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.05 107.8 7.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.826 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.9 mt -98.69 96.9 8.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 26.4 mtm105 -92.84 143.19 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -135.36 -175.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -135.83 147.92 48.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' CG2' ' A' ' 61' ' ' THR . 3.4 mt -133.03 132.41 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.0 t -57.57 -15.02 6.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 24.4 ttm180 -154.73 140.96 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.03 -175.97 6.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 57.39 46.95 91.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.598 HG23 ' HD2' ' A' ' 38' ' ' PRO . 71.0 m -128.45 137.37 30.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.621 0.724 . . . . 0.0 111.09 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 37' ' ' THR . 54.1 Cg_endo -69.76 144.56 54.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.01 148.77 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -124.52 102.31 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.591 ' HB3' HD12 ' A' ' 48' ' ' ILE . 97.8 m95 -83.28 112.49 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.14 125.73 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.699 ' HB2' HD11 ' A' ' 48' ' ' ILE . 9.0 tttm -110.48 90.46 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 72.44 51.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 63.52 38.88 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -143.06 129.1 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.7 119.18 12.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 43' ' ' LYS . 62.4 mt -81.76 136.56 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 124.28 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -55.3 110.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 39.6 p -149.39 172.53 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.5 mt-30 -37.5 -41.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -69.06 -54.85 12.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.462 ' CD2' HG23 ' A' ' 48' ' ' ILE . 46.4 m-85 -102.42 113.9 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.43 93.08 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.2 t -71.62 94.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.88 132.47 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.4 t -130.73 91.1 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -108.58 79.93 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.55 -114.3 3.97 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.5 p -105.71 40.7 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -146.05 109.04 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.452 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -100.24 115.61 30.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.0 ttp -115.38 129.53 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD22 ' CE3' ' A' ' 41' ' ' TRP . 31.8 tp -113.92 101.21 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.2 t -76.17 137.68 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.474 HD13 ' OH ' ' A' ' 78' ' ' TYR . 18.6 mt -121.51 81.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -51.11 139.11 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.02 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.55 100.98 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -92.3 167.25 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 mt -39.84 -38.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -61.08 -47.37 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.78 -38.76 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.493 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -47.27 116.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.92 -166.11 30.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -99.03 130.43 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' A' ' 67' ' ' ILE . 95.2 m-85 -108.19 100.12 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 86' ' ' LYS . 99.6 m -94.42 111.67 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.3 t -91.92 94.81 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -81.82 99.69 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.789 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -91.42 179.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.789 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.3 -70.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.36 -28.3 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.685 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -81.44 -179.15 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 79' ' ' THR . 13.8 ttmt -160.16 159.71 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 t -144.32 128.17 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.4 m -117.13 145.27 43.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.78 165.38 36.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.5 p -125.66 123.12 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 75' ' ' ALA . 11.6 tp -91.95 144.37 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.464 ' H ' HD12 ' A' ' 91' ' ' LEU . 26.9 m80 -125.72 134.16 51.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.7 t -135.87 106.86 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -123.57 130.88 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' LYS . 16.8 tt0 -77.36 146.76 36.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' GLU . 17.1 ptmt -35.56 129.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.64 88.68 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t -112.77 -47.18 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.56 153.34 46.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 m -123.46 129.15 50.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.2 m -96.17 149.6 21.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 42.33 41.97 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -148.97 173.53 13.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.1 -122.1 1.05 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -115.65 161.92 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.5 162.43 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.04 -160.5 13.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 147.2 61.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.576 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . -118.22 40.86 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 178.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.635 HD11 ' HB ' ' A' ' 82' ' ' VAL . 57.2 mt -100.58 121.2 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.679 HD11 ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.33 -36.1 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 33.9 mtpt -115.43 110.2 45.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.75 157.65 59.68 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 80' ' ' CYS . 87.0 mt -61.1 175.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -139.48 162.27 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 4.9 p30 -76.54 123.34 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -104.35 140.01 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.579 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 9.7 m-90 -120.21 110.36 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 m -133.41 -175.07 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.662 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.35 162.8 18.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.82 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.11 -10.15 0.99 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.84 -178.45 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -114.38 124.5 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.617 ' HB ' HD12 ' A' ' 67' ' ' ILE . 55.7 t -88.06 152.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -140.83 110.4 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 65' ' ' LEU . 5.5 mt -105.07 98.44 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -95.66 156.56 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -148.08 -175.03 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.679 ' OE1' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -132.68 133.58 43.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 3.0 mt -118.09 132.91 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.462 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 10.2 p -52.7 -22.25 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 66.2 ttt-85 -143.23 132.55 23.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.613 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -68.07 176.6 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.46 60.47 5.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.58 HG23 ' HD2' ' A' ' 38' ' ' PRO . 57.9 m -130.63 136.82 29.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.558 0.694 . . . . 0.0 111.139 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.58 ' HD2' HG23 ' A' ' 37' ' ' THR . 53.6 Cg_endo -69.79 143.0 49.34 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 40' ' ' HIS . 7.9 p -124.28 163.85 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' N ' HG22 ' A' ' 39' ' ' VAL . 2.5 t-160 -132.31 93.63 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.608 ' CE3' HD22 ' A' ' 65' ' ' LEU . 95.7 m95 -77.92 109.82 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 47' ' ' ALA . 5.8 mt -109.99 127.88 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.828 ' HB2' HD11 ' A' ' 48' ' ' ILE . 10.3 tmtt? -116.46 102.93 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.74 45.51 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 65.92 41.67 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -143.22 129.14 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -70.66 112.66 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.075 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.828 HD11 ' HB2' ' A' ' 43' ' ' LYS . 22.3 mt -78.87 161.05 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.517 ' N ' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -125.05 164.4 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -85.29 127.3 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -168.24 -179.73 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.61 -42.28 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -68.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 24.6 m-85 -95.49 110.67 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -106.02 111.81 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -82.18 118.69 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t -122.37 81.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 37.8 t -99.99 89.05 3.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CD ' ' C ' ' A' ' 58' ' ' CYS . 6.3 mp0 -133.08 158.4 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 32.86 67.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER 40.41 46.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.0 ttp -146.55 108.15 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -101.72 106.85 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 32.8 ttp -112.16 138.96 48.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.608 HD22 ' CE3' ' A' ' 41' ' ' TRP . 29.8 tp -120.6 100.2 6.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.84 142.21 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.899 HG21 ' OD2' ' A' ' 74' ' ' ASP . 41.0 mt -126.84 90.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -57.1 129.61 42.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.24 74.41 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.9 99.98 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.0 m -90.95 167.43 12.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.594 ' HA ' HG13 ' A' ' 93' ' ' VAL . 22.9 mt -41.98 -34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' ASP . 15.0 ttpt -66.53 -53.4 35.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.899 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.1 t70 -34.26 -46.62 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.976 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -46.59 117.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.91 37.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.54 99.11 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -88.11 115.41 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 100.0 m -106.52 103.9 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.58 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.8 t -80.97 89.64 5.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.27 110.64 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.79 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.5 p -91.2 -179.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.79 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -28.8 -67.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.01 -42.9 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.484 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -74.95 177.74 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.12 128.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.5 t -108.79 161.38 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.5 m -138.55 134.06 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.56 -176.88 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.0 t -141.92 129.25 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.524 ' O ' ' HB1' ' A' ' 75' ' ' ALA . 15.3 tp -94.21 138.82 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.579 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 25.4 m80 -118.47 145.29 45.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.976 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -155.61 131.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 37.3 mt-10 -145.35 140.88 28.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 22' ' ' PRO . 10.0 tm-20 -74.23 156.7 36.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -79.7 80.16 6.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.06 113.06 13.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -109.22 82.38 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.34 -172.03 22.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.557 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.79 3.12 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.3 t 66.6 42.09 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.6 p -112.87 160.57 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -73.08 98.3 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -103.05 95.71 6.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.32 -77.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -96.65 154.06 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -130.65 127.02 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.51 172.14 13.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.456 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 172.76 12.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.575 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . -115.68 23.48 12.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.02 -179.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.702 HD11 ' HB ' ' A' ' 82' ' ' VAL . 41.3 mt -107.84 113.49 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.531 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.38 -36.63 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -108.5 96.81 20.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.526 0.679 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 155.0 67.37 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 18.0 mt -60.82 167.79 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -133.98 154.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.59 139.86 58.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -118.77 141.29 48.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 -121.9 103.5 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.44 HG11 HG22 ' A' ' 26' ' ' VAL . 20.9 m -130.38 -178.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.36 164.45 14.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.724 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.3 Cg_endo -69.77 92.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.33 -8.87 3.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -91.71 171.59 9.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -100.08 149.41 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG11 ' A' ' 20' ' ' VAL . 73.0 t -125.0 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.95 106.13 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.655 HD12 HD23 ' A' ' 65' ' ' LEU . 4.8 mt -98.01 101.37 12.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -94.66 162.81 13.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.6 p -153.07 179.23 8.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.89 141.01 47.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -127.72 142.21 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -60.13 -13.95 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 35' ' ' ALA . 20.8 ttm180 -159.14 147.41 17.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 34' ' ' ARG . . . -82.04 -176.59 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.03 -55.66 4.93 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.3 m -52.22 110.59 1.97 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 111.082 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 144.89 55.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG13 ' CD1' ' A' ' 41' ' ' TRP . 5.8 p -96.84 147.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -105.94 100.64 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.665 ' CE3' HD22 ' A' ' 65' ' ' LEU . 97.9 m95 -81.19 111.14 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.6 mt -113.53 127.51 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB2' HD11 ' A' ' 48' ' ' ILE . 12.9 tptm -107.3 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.06 48.0 18.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 66.88 42.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -144.77 107.06 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -49.47 127.85 16.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 41' ' ' TRP . 43.5 mt -92.01 146.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -116.38 120.35 38.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.47 130.72 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.8 t -170.88 170.93 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' SER . 39.2 tp60 -37.34 -42.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.75 -66.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.48 ' HB3' HD11 ' A' ' 65' ' ' LEU . 33.1 m-85 -97.34 101.13 12.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.46 104.25 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 t -82.32 108.17 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 t -108.51 106.68 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.0 t -112.09 93.76 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.85 80.37 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' HA2' ' HB1' ' A' ' 35' ' ' ALA . . . 79.11 -115.49 4.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.437 HG22 ' C ' ' A' ' 34' ' ' ARG . 32.3 p -97.89 39.8 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 111.181 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -144.52 119.19 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.711 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -111.96 107.4 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 48.4 ttp -108.84 153.91 22.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.665 HD22 ' CE3' ' A' ' 41' ' ' TRP . 20.3 tp -138.41 109.67 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.8 125.92 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.29 77.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.25 134.86 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.18 82.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 100.71 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.3 m -80.66 157.88 25.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -38.69 -37.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -63.24 -42.7 99.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -46.15 -40.88 11.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.47 116.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.92 -171.84 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.61 142.19 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -121.43 105.24 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.4 m -96.5 111.52 23.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.75 87.4 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.49 121.15 16.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.775 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.9 p -109.77 178.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.775 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.52 -71.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.66 -31.83 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.674 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.9 m -78.9 -174.51 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -159.37 162.85 35.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -151.01 142.36 23.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -131.37 156.09 46.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -147.41 -176.63 5.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -144.27 111.84 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.9 tp -91.65 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -118.89 137.86 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.6 t -140.12 109.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.439 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 11.0 mt-10 -125.36 140.2 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' HA ' ' CD ' ' A' ' 22' ' ' PRO . 2.9 tm-20 -78.39 140.12 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -89.98 161.79 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.99 -178.09 6.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -132.57 46.7 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.33 -179.18 22.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.52 60.07 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.8 p -159.39 151.9 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 m -66.6 136.48 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -57.43 -54.22 49.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p -100.31 142.07 32.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.48 -171.8 20.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -149.04 152.82 36.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -106.01 89.74 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.78 78.17 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' CA ' ' HG2' ' A' ' 34' ' ' ARG . . . -111.83 13.66 20.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -36.76 154.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mt -93.16 111.53 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.537 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -86.6 -36.09 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 35.2 mttp -106.99 95.84 13.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 28' ' ' LEU . 5.9 mt -63.98 177.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -147.32 149.56 33.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 5.8 m-20 -53.74 126.8 23.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -104.29 131.8 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -108.68 102.08 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.778 HG11 HG22 ' A' ' 26' ' ' VAL . 18.9 m -128.91 -175.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.734 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -111.61 165.19 13.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.734 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 52.9 Cg_endo -69.83 92.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.286 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.66 -13.39 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.6 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -102.42 130.22 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.778 HG22 HG11 ' A' ' 20' ' ' VAL . 56.0 t -103.11 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -129.97 118.41 21.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.6 mt -110.68 90.63 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -82.08 161.06 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.8 p -149.64 -175.16 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -143.63 140.34 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.32 144.73 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -55.5 -27.49 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HG2' ' CA ' ' A' ' 9' ' ' ALA . 15.0 ptt180 -147.21 158.12 43.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -91.36 -176.66 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.53 40.59 98.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.482 ' CG2' ' OE2' ' A' ' 83' ' ' GLU . 17.1 m -132.5 126.56 20.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 111.156 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 149.65 67.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.477 HG22 ' H ' ' A' ' 40' ' ' HIS . 5.5 p -119.81 165.79 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.477 ' H ' HG22 ' A' ' 39' ' ' VAL . 4.1 t-160 -133.56 116.82 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.561 ' HB3' HD12 ' A' ' 48' ' ' ILE . 90.1 m95 -98.89 114.75 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 47' ' ' ALA . 7.0 mt -114.78 119.41 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB2' HD11 ' A' ' 48' ' ' ILE . 15.4 tttt -108.33 102.62 11.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 63.05 53.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.23 45.93 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -147.35 117.69 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -60.47 129.0 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 41' ' ' TRP . 43.6 mt -93.28 144.23 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -119.14 116.41 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -38.74 137.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 52' ' ' GLN . 54.5 p -169.88 166.01 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.4 tp-100 -35.08 -38.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -72.01 -68.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.493 ' HB3' HD11 ' A' ' 65' ' ' LEU . 48.2 m-85 -87.99 119.85 28.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -110.23 109.37 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.42 99.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.42 127.63 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.2 t -126.58 93.69 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -101.21 48.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.43 -112.76 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 35' ' ' ALA . 14.1 p -89.52 37.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.335 . . . . 0.0 111.161 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.4 ttp -153.13 119.6 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.628 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -114.61 116.64 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.1 ttp -115.61 146.26 41.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.501 HD22 ' CE3' ' A' ' 41' ' ' TRP . 18.9 tp -128.78 103.86 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 t -81.18 134.05 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 67' ' ' ILE . 19.4 mt -118.49 76.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLY . 16.4 mmm180 -44.97 140.25 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 37.73 77.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 100.47 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -80.95 159.68 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.538 HD23 HG22 ' A' ' 93' ' ' VAL . 37.3 mt -40.11 -35.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -66.67 -46.7 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.402 ' OD2' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -39.23 -36.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.911 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -51.51 123.36 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.5 -167.51 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -104.64 130.46 52.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.95 108.31 17.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 m -93.96 110.07 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.93 95.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -88.13 124.51 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.668 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -126.81 -174.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.668 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.74 -72.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.6 -26.25 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.465 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -78.66 167.28 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -155.58 140.65 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 t -127.29 153.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 m -141.65 146.41 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -151.75 178.79 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 52.7 p -141.58 120.71 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 75' ' ' ALA . 11.8 tp -84.07 138.08 33.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.501 ' CD2' ' HB3' ' A' ' 17' ' ' ASP . 85.4 m-70 -119.29 133.47 55.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.911 HG12 ' HB2' ' A' ' 75' ' ' ALA . 1.2 p -140.96 136.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -153.71 138.65 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -84.04 149.34 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -85.16 -177.26 6.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -156.87 155.5 31.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 p -83.92 112.73 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.2 179.4 35.91 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 103' ' ' GLY . 53.7 Cg_endo -69.77 -4.17 13.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' PRO . 95.7 p -35.61 125.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t 48.12 37.7 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 100' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -97.09 136.9 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -167.51 123.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.79 -112.57 2.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -84.24 134.86 34.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -99.12 129.3 45.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.12 -167.06 33.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 157.51 60.14 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.62 2.214 . . . . 0.0 112.396 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.693 ' HB2' ' HG2' ' A' ' 34' ' ' ARG . . . -85.86 24.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.7 158.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.787 HD11 ' HB ' ' A' ' 82' ' ' VAL . 28.6 mt -96.21 118.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -93.36 -37.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 45.0 mttm -104.91 94.75 7.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 2.288 . . . . 0.0 112.365 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 80' ' ' CYS . 5.0 mt -66.5 -179.48 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -145.16 179.95 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.42 128.77 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -106.54 139.24 41.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.536 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 7.9 m-90 -123.53 105.59 9.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.92 -175.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -103.68 159.01 30.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.721 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.2 Cg_endo -69.72 86.72 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.66 -12.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.36 170.72 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -97.01 150.5 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.499 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 92.8 t -125.13 141.88 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -129.44 127.41 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 65' ' ' LEU . 6.3 mt -117.86 104.85 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -100.38 149.27 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.8 p -134.27 -175.2 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.1 tp10 -137.6 134.27 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -121.17 133.33 55.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -46.8 -36.43 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.693 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 4.6 ptt180 -139.43 146.47 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -86.63 39.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.28 55.02 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.475 HG21 ' HG2' ' A' ' 83' ' ' GLU . 52.7 m -167.51 132.14 1.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.545 0.688 . . . . 0.0 111.113 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.42 24.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.242 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.3 p -124.02 153.49 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 2.7 t-160 -120.95 109.94 15.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.813 ' CE3' HD22 ' A' ' 65' ' ' LEU . 96.3 m95 -91.06 112.61 24.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mt -116.69 114.13 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.634 ' HB2' HD11 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -103.68 105.82 16.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 58.81 50.31 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 60.48 42.12 14.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -146.24 114.31 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.79 132.37 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.809 HD12 ' HB3' ' A' ' 41' ' ' TRP . 45.1 mt -93.62 138.24 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -112.91 116.0 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -42.37 115.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -149.85 172.8 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -45.97 -24.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -84.77 -55.68 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.404 ' HB3' HD11 ' A' ' 65' ' ' LEU . 49.1 m-85 -103.19 104.04 14.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -96.08 106.78 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 t -86.39 115.02 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.8 t -119.73 98.45 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.4 t -105.04 103.4 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' GLY . 4.4 mm-40 -138.07 143.4 40.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.85 75.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 35' ' ' ALA . 45.2 p 39.54 42.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 111.103 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -139.74 105.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.502 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -101.94 103.51 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 47.5 ttp -102.6 148.75 25.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.813 HD22 ' CE3' ' A' ' 41' ' ' TRP . 17.6 tp -134.37 104.08 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.35 136.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.45 HD12 ' HB ' ' A' ' 26' ' ' VAL . 22.7 mt -119.96 77.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -52.48 134.66 34.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.16 81.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 100.87 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ASP . 2.9 p -84.85 159.99 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.741 HD23 HG22 ' A' ' 93' ' ' VAL . 67.1 mt -39.52 -34.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.426 ' CG ' ' N ' ' A' ' 74' ' ' ASP . 19.2 pttt -69.85 -43.15 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.1 m-20 -42.56 -32.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.937 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -55.42 119.36 5.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.36 -171.52 34.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -95.76 126.49 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.95 105.26 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.2 m -99.53 112.43 24.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 35.0 t -90.72 91.01 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 40' ' ' HIS . 3.9 tt0 -79.76 118.39 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.787 ' HB ' HD11 ' A' ' 11' ' ' ILE . 2.9 p -112.43 179.13 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.783 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.53 -72.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -34.01 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.681 ' C ' HG12 ' A' ' 82' ' ' VAL . 3.5 m -80.68 -174.66 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.5 ttpt -175.69 149.44 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 22.8 t -123.44 162.03 23.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -144.58 130.66 19.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -132.99 -178.71 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.9 m -148.68 107.63 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 92' ' ' HIS . 27.4 tp -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.619 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.3 m-70 -127.71 141.13 51.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.937 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -147.8 132.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -143.69 131.61 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' CB ' ' HG3' ' A' ' 22' ' ' PRO . 4.6 tt0 -82.35 157.82 23.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -74.76 135.2 41.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.0 125.36 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 t -71.8 79.19 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.59 158.89 9.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.82 18.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.6 m -106.36 99.08 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.9 p -63.68 -52.11 62.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.525 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m -112.77 41.21 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.792 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -91.42 129.4 37.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.88 -140.77 16.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 m -56.88 87.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.372 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -81.95 144.99 30.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.26 129.12 9.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.432 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 157.64 59.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.91 32.48 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.55 174.79 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.504 HG12 HD23 ' A' ' 32' ' ' LEU . 23.5 mt -102.93 133.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.431 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -106.7 -35.44 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 32.9 mttm -110.83 97.35 33.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 155.53 65.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 13.3 mt -62.67 -176.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -152.18 141.39 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -46.28 133.43 9.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -112.38 142.47 44.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -122.71 97.96 5.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 26' ' ' VAL . 18.0 m -122.65 -176.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -108.28 162.44 19.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.71 89.45 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.12 -12.02 2.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.89 179.14 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.44 127.74 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.486 ' CG2' HG21 ' A' ' 20' ' ' VAL . 53.5 t -97.82 139.63 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -129.7 120.02 24.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 15' ' ' LEU . 12.6 mt -111.88 88.91 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG2' ' CG ' ' A' ' 64' ' ' MET . 45.5 mtt180 -86.35 151.77 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -145.2 -176.57 5.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 11' ' ' ILE . 24.3 tt0 -132.47 140.97 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HG12 ' A' ' 11' ' ' ILE . 1.8 mt -126.94 135.54 51.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -54.05 -24.02 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' C ' HG22 ' A' ' 61' ' ' THR . 27.4 ttt180 -136.7 135.09 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.741 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -76.9 -177.16 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.65 31.06 29.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.569 HG23 ' OE2' ' A' ' 83' ' ' GLU . 49.6 m -113.96 125.52 29.3 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.549 0.69 . . . . 0.0 111.162 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.33 67.93 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 40' ' ' HIS . 7.8 p -117.74 160.37 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.475 ' N ' HG22 ' A' ' 39' ' ' VAL . 4.6 t-160 -116.98 103.09 9.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.663 ' HB3' HD12 ' A' ' 48' ' ' ILE . 95.9 m95 -86.22 105.16 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mt -104.88 122.77 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.577 ' HB2' HD11 ' A' ' 48' ' ' ILE . 16.2 tttm -107.11 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 65.35 47.89 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 66.92 31.41 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -137.75 114.02 10.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.41 121.4 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' A' ' 41' ' ' TRP . 53.0 mt -81.84 143.68 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -109.17 133.16 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' HG3' HG23 ' A' ' 56' ' ' VAL . 32.8 ttpt -56.92 118.02 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 52' ' ' GLN . 3.2 m -153.06 162.93 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' SER . 34.7 mm-40 -34.61 -42.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.01 -54.66 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.46 ' HB3' HD11 ' A' ' 65' ' ' LEU . 28.9 m-85 -103.98 105.04 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.83 113.17 25.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 50' ' ' LYS . 19.0 t -79.08 110.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.8 HG12 ' OE1' ' A' ' 59' ' ' GLU . 61.6 t -111.49 143.07 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.7 t -150.49 113.47 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.8 ' OE1' HG12 ' A' ' 57' ' ' VAL . 37.6 mp0 -132.14 98.85 4.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 49.62 90.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.741 HG23 ' HB2' ' A' ' 35' ' ' ALA . 72.1 p 44.08 36.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.421 ' HE3' ' OE1' ' A' ' 59' ' ' GLU . 10.9 tmm? -134.86 89.3 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.95 121.18 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.403 ' CG ' ' HG2' ' A' ' 29' ' ' ARG . 36.4 ttp -126.85 133.83 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD22 ' CE3' ' A' ' 41' ' ' TRP . 33.2 tp -113.48 105.1 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.28 141.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.932 HG21 ' OD2' ' A' ' 74' ' ' ASP . 34.7 mt -125.41 82.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.1 129.73 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 42.1 78.28 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.11 102.31 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -84.33 160.15 20.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 93' ' ' VAL . 20.8 mt -39.74 -33.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.15 -52.8 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.932 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.6 t70 -38.87 -31.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.968 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -54.42 118.4 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.54 -143.72 3.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -126.14 120.39 30.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.416 ' OH ' HD13 ' A' ' 67' ' ' ILE . 88.0 m-85 -103.69 112.26 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.932 HG23 ' O ' ' A' ' 87' ' ' SER . 45.2 m -108.27 107.85 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.565 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -84.4 86.14 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 8.6 tt0 -80.13 104.88 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.717 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.4 p -80.1 -178.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.717 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -30.06 -63.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.58 -42.47 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.435 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.5 t -77.01 178.94 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 25.9 pttt -168.54 147.19 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.932 ' O ' HG23 ' A' ' 79' ' ' THR . 37.7 t -116.14 -175.29 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.6 m -159.93 136.62 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -145.28 157.84 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 m -123.26 115.25 21.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 ' H ' ' A' ' 92' ' ' HIS . 15.9 tp -79.01 158.47 27.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.6 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.0 m-70 -140.97 130.0 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.968 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.19 133.42 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.413 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 56.1 mt-10 -153.42 136.62 15.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -78.31 169.34 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.54 88.98 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -144.56 134.35 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 t -88.32 54.32 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.31 155.29 2.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -11.71 31.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.5 p -84.6 85.61 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.9 t -135.7 113.49 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -68.78 129.12 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -39.45 -47.61 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.99 -132.24 0.99 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.2 p -96.84 151.6 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -62.62 101.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.73 118.05 2.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -179.18 2.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . -126.25 27.57 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HA ' HG11 ' A' ' 82' ' ' VAL . . . -71.52 171.13 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.1 mt -93.29 111.83 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.528 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.27 -36.5 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 53.6 mttm -108.84 98.77 31.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.78 161.9 44.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.526 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 5.8 mt -70.57 174.72 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.31 140.69 32.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -46.18 129.95 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -107.15 144.83 33.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 9.0 m-90 -126.92 97.63 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.68 -175.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.4 161.47 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.73 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.55 -12.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.44 172.66 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.55 136.0 43.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -105.59 142.67 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -131.5 110.08 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.495 HD12 HD23 ' A' ' 65' ' ' LEU . 14.5 mt -101.23 98.52 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -94.44 154.51 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.607 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -142.96 -177.83 5.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 2.8 tp10 -133.76 141.25 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' C ' HD11 ' A' ' 12' ' ' ILE . 3.2 mt -128.81 138.6 52.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -63.73 -7.09 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 19.0 ttm180 -154.26 139.35 17.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -84.21 179.85 7.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.16 11.11 31.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.745 HG23 ' OE2' ' A' ' 83' ' ' GLU . 1.4 m -94.24 132.8 28.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.93 55.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 8.9 p -132.01 149.74 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.39 103.89 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.773 ' CE3' HD22 ' A' ' 65' ' ' LEU . 98.8 m95 -84.82 108.17 17.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.49 119.05 37.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.612 ' HB2' HD11 ' A' ' 48' ' ' ILE . 41.7 tttm -104.51 105.7 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.3 48.82 18.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 65.34 44.89 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -151.8 114.87 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.16 129.38 31.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.739 HD12 ' HB3' ' A' ' 41' ' ' TRP . 53.5 mt -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' N ' HG22 ' A' ' 48' ' ' ILE . 12.6 ptt180 -118.5 140.4 49.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -69.32 123.0 20.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -165.85 171.99 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -42.6 -37.3 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HE2' HG23 ' A' ' 67' ' ' ILE . 15.6 tptm -69.69 -54.15 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 55.2 m-85 -112.99 98.16 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.2 116.62 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.6 t -94.0 103.35 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.435 HG12 ' HG3' ' A' ' 59' ' ' GLU . 97.2 t -102.28 122.63 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 24.5 t -112.72 90.03 3.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 61' ' ' THR . 63.8 mt-10 -101.76 178.27 4.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -36.18 95.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 35' ' ' ALA . 30.1 p 43.8 45.66 6.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.145 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 62' ' ' MET . 10.6 tmm? -145.52 109.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.607 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.51 108.51 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.3 ttp -108.94 138.13 45.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.773 HD22 ' CE3' ' A' ' 41' ' ' TRP . 18.6 tp -122.94 100.3 6.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.84 134.85 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.505 HG23 ' HE2' ' A' ' 53' ' ' LYS . 18.8 mt -119.77 78.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -44.88 135.77 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.41 82.28 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.45 100.19 12.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.628 HD23 HG12 ' A' ' 93' ' ' VAL . 27.6 mt -54.22 -35.18 62.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.04 -44.71 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -35.07 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -50.05 121.34 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.18 -159.98 11.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -116.03 116.78 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -101.81 119.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 87' ' ' SER . 22.4 m -107.49 105.26 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 8.7 t -81.35 95.28 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 4.4 tt0 -92.51 124.51 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.731 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -104.6 -174.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.745 ' OE2' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -29.3 -70.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 -28.95 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 t -86.55 178.58 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 4.0 ptpp? -175.35 147.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 79' ' ' THR . 18.4 t -125.33 169.18 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.9 m -143.29 142.66 31.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -144.89 -178.4 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -142.12 129.73 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 75' ' ' ALA . 8.0 tp -95.99 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -123.4 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 72' ' ' LEU . 76.1 t -142.25 123.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -139.05 135.6 34.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -74.38 165.39 25.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 165.48 2.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.01 117.88 19.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 t -110.25 109.43 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.96 170.57 38.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -14.1 35.63 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 m -57.64 160.55 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.6 p -164.99 127.1 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -64.01 -56.53 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -138.76 113.89 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.84 145.91 5.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -48.16 157.55 0.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -92.33 130.07 38.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.34 81.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 179.86 3.41 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.329 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.812 ' HB1' HG21 ' A' ' 37' ' ' THR . . . -104.07 19.27 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.07 170.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' GLU . 30.7 mt -102.15 114.76 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.35 -35.66 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttm -112.26 97.94 41.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.77 165.69 30.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 28' ' ' LEU . 3.2 mt -70.94 179.77 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -145.44 147.05 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -53.17 131.76 37.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -111.8 137.98 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -116.15 96.61 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 26' ' ' VAL . 17.2 m -120.47 -176.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.778 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -113.38 166.55 10.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.778 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.8 92.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.19 -15.45 3.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.38 172.29 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.25 135.86 43.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG22 HG11 ' A' ' 20' ' ' VAL . 51.8 t -104.18 136.07 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -125.68 113.56 17.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HB3' HD22 ' A' ' 15' ' ' LEU . 16.3 mt -109.88 100.84 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -93.65 162.24 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -156.02 -175.14 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.9 tt0 -135.1 156.77 48.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 31' ' ' GLU . 1.7 mt -142.19 137.8 31.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -63.82 -7.41 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.529 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 2.4 tpm_? -141.96 140.14 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -83.45 166.54 18.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.55 17.65 54.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.812 HG21 ' HB1' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -92.78 117.47 67.58 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.602 0.715 . . . . 0.0 111.1 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 153.84 68.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -126.03 157.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -120.92 108.2 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.62 ' CB ' HD12 ' A' ' 48' ' ' ILE . 80.5 m95 -86.47 119.48 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.64 116.46 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 109.15 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.49 39.38 25.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 69.95 43.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -143.72 121.14 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.85 123.73 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 41' ' ' TRP . 27.4 mt -88.06 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -119.75 136.86 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -64.82 109.75 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' LYS . 5.9 p -146.14 163.98 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' SER . 3.0 mp0 -36.22 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -81.33 -51.28 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -107.37 114.76 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -104.49 125.94 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.7 105.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.55 137.0 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.9 t -146.09 107.62 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' GLY . 16.5 mt-10 -154.41 156.68 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.82 60.67 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.549 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 35' ' ' ALA . 30.0 p 43.66 40.96 3.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.145 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.414 ' CE ' ' HB2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -140.72 119.14 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.63 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -115.41 128.61 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.414 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 60.5 ttp -126.8 159.57 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD22 ' CE3' ' A' ' 41' ' ' TRP . 12.1 tp -140.04 119.7 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 t -100.28 125.5 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 67' ' ' ILE . 18.7 mt -109.93 76.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 mmm-85 -45.3 133.33 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.81 81.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HA ' ' CG ' ' A' ' 74' ' ' ASP . . . -92.38 100.95 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.9 m -90.27 176.55 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.21 -30.54 11.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -69.61 -46.37 66.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -43.68 -37.47 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 121.64 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.05 -168.62 37.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' OE2' HG21 ' A' ' 88' ' ' THR . 5.4 tt0 -100.44 129.03 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -110.79 102.83 11.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -93.65 111.84 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.19 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.2 95.91 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.05 123.27 30.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.675 HG22 ' OE2' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -121.01 -174.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.675 ' OE2' HG22 ' A' ' 82' ' ' VAL . 1.4 mm-40 -32.16 -72.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.75 -25.39 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.4 174.95 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -163.74 145.0 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.9 t -133.48 166.94 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.47 HG21 ' OE2' ' A' ' 77' ' ' GLU . 5.1 m -153.3 156.17 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.99 168.86 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.4 m -126.8 120.52 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.2 tp -90.99 140.26 30.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.9 148.41 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.3 t -150.95 113.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -129.74 134.78 47.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -63.54 159.16 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -128.79 177.33 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.25 164.27 9.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -152.45 170.17 20.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.15 -177.13 47.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 134.88 28.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.29 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -79.83 -56.51 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.4 p -55.09 117.65 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -63.09 108.04 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -117.68 104.45 11.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.42 79.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -84.08 119.68 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -74.11 159.97 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.83 86.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 156.58 62.86 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . -111.82 41.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.5 174.18 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.13 113.3 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.525 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -86.76 -36.8 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttp -107.6 97.65 20.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.77 155.57 65.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 4.8 mt -65.05 177.91 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -141.85 148.16 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.68 141.68 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -117.5 145.74 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -129.61 99.35 5.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 m -127.94 -175.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.02 161.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.79 87.95 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.2 -12.4 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -92.35 179.62 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -106.23 149.81 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.29 140.06 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -129.79 114.44 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.9 mt -107.43 94.11 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.1 mtt85 -86.55 163.21 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -154.55 -176.82 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -136.28 155.02 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.4 mt -138.42 138.61 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.5 t -61.26 -19.84 62.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.515 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 28.0 ttp180 -139.41 138.74 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -75.64 -175.33 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.79 41.61 20.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.588 HG23 ' OE2' ' A' ' 83' ' ' GLU . 62.9 m -123.21 122.89 26.75 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.591 0.71 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.17 17.2 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.78 150.8 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -110.76 106.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.756 ' CE3' HD22 ' A' ' 65' ' ' LEU . 95.5 m95 -86.03 104.0 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 46' ' ' LYS . 7.7 mt -106.89 121.85 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.87 ' HB2' HD11 ' A' ' 48' ' ' ILE . 38.5 tttm -107.32 111.42 23.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t70 60.82 45.91 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.48 25.89 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.707 ' O ' HD23 ' A' ' 42' ' ' LEU . 7.3 mmpt? -115.82 177.79 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.2 115.55 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.87 HD11 ' HB2' ' A' ' 43' ' ' LYS . 44.3 mt -87.73 136.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 128.66 55.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -46.64 136.3 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 4.3 t -173.65 160.89 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.0 pt20 -35.71 -42.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.53 -52.18 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' HB3' HD11 ' A' ' 65' ' ' LEU . 47.7 m-85 -106.77 86.95 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.2 106.24 7.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.07 107.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.521 ' CG2' ' N ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -120.53 158.0 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 45.8 t -171.11 111.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -111.15 107.19 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.83 -104.59 1.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 35' ' ' ALA . 71.7 p -119.01 42.86 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.8 ttp -147.83 104.97 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.58 137.17 37.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.478 ' HB3' HG13 ' A' ' 57' ' ' VAL . 27.6 ttp -135.3 147.79 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.756 HD22 ' CE3' ' A' ' 41' ' ' TRP . 14.9 tp -131.7 107.33 8.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.0 t -81.52 145.59 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 67' ' ' ILE . 18.4 mt -128.48 76.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -45.94 134.9 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.17 81.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.73 100.6 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 m -87.89 173.92 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.536 HD23 HG12 ' A' ' 93' ' ' VAL . 28.3 mt -50.22 -35.59 27.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -70.19 -42.39 72.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -40.05 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.615 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -45.61 132.6 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.99 -174.87 43.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -98.64 116.77 31.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.92 114.37 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 87' ' ' SER . 55.5 m -108.03 106.85 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -82.06 78.94 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.488 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 12.6 tt0 -72.81 109.91 6.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.719 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.1 p -87.69 -176.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.719 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -31.45 -59.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.86 -38.73 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.418 ' C ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -81.17 177.02 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 6.1 pttt -165.48 146.11 7.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.856 ' O ' HG23 ' A' ' 79' ' ' THR . 43.8 t -111.63 -177.81 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -160.09 128.66 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -133.01 170.32 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -135.09 107.44 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 75' ' ' ALA . 13.6 tp -80.38 147.38 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.526 ' H ' HD12 ' A' ' 91' ' ' LEU . 71.3 m80 -130.44 136.72 49.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.536 HG12 HD23 ' A' ' 72' ' ' LEU . 93.5 t -138.67 122.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.417 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 33.1 mt-10 -142.71 148.79 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 96' ' ' LYS . 9.2 tt0 -97.7 142.46 29.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 95' ' ' GLU . 43.2 mttp -34.52 125.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.67 101.83 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -123.17 143.52 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 118.97 160.33 11.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.82 63.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -55.21 -48.16 74.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -107.37 176.4 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -96.56 103.56 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -155.14 131.34 10.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.38 -84.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.434 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -100.62 131.03 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -162.62 152.32 15.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.91 -156.75 9.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 148.5 65.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' CB ' ' OG1' ' A' ' 37' ' ' THR . . . -83.5 41.48 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.09 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.22 170.09 12.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -95.64 126.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.579 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.51 -36.89 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 28.9 mtpt -109.54 104.33 55.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.76 156.4 63.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.337 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 80' ' ' CYS . 5.4 mt -67.55 172.31 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.54 143.35 35.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.81 135.59 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -107.69 140.62 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -121.95 96.55 5.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 HG22 ' A' ' 26' ' ' VAL . 10.3 m -126.33 -174.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.41 161.63 22.43 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.579 0.704 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.75 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.55 -9.27 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -90.72 176.8 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.66 135.61 46.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG22 HG11 ' A' ' 20' ' ' VAL . 60.8 t -109.92 135.71 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -127.55 103.84 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.22 104.02 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -98.2 155.94 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -143.6 -175.76 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -135.22 138.68 43.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.8 mt -122.29 141.29 51.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.9 t -68.66 -12.51 61.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.8 123.01 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.647 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -65.84 -174.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.63 56.96 15.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.477 HG23 ' HD2' ' A' ' 38' ' ' PRO . 90.4 m -140.81 134.58 14.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.115 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HD2' HG23 ' A' ' 37' ' ' THR . 53.8 Cg_endo -69.8 145.62 57.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG21 ' SG ' ' A' ' 80' ' ' CYS . 3.4 p -123.85 155.8 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.5 101.02 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.933 ' CE3' HD22 ' A' ' 65' ' ' LEU . 96.4 m95 -82.61 108.41 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 mt -110.82 121.82 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 48' ' ' ILE . 9.0 tttp -110.7 91.68 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 73.71 49.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 61.55 41.17 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -145.69 116.28 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.95 120.95 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 43' ' ' LYS . 63.8 mt -80.64 140.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -107.93 114.65 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -43.27 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -150.84 168.34 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 16.2 pt20 -36.07 -43.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -55.88 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' HB3' HD11 ' A' ' 65' ' ' LEU . 33.8 m-85 -106.68 108.39 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -99.68 101.09 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.69 101.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.21 143.87 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.7 t -150.18 107.76 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -114.43 -74.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -148.36 110.06 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.647 HG23 ' HB2' ' A' ' 35' ' ' ALA . 71.7 p 45.57 26.66 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.5 ttp -144.4 105.4 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.42 117.43 34.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.2 ttp -113.33 134.06 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.933 HD22 ' CE3' ' A' ' 41' ' ' TRP . 38.7 tp -116.87 102.62 9.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -78.91 142.68 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.4 mt -127.58 80.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -48.36 137.12 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.37 82.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' PRO . . . -89.91 99.98 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 m -85.66 174.94 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 93' ' ' VAL . 7.5 mt -53.04 -29.71 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.458 ' N ' ' HE3' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -71.02 -40.3 71.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.54 -35.55 53.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.38 115.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.64 -165.61 25.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.2 138.94 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -120.22 107.2 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 84.8 m -101.13 109.43 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.432 ' SG ' HG21 ' A' ' 39' ' ' VAL . 1.8 t -88.79 87.94 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -78.26 110.75 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.767 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.1 p -99.42 -179.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.767 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -33.17 -60.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' H ' ' CD ' ' A' ' 83' ' ' GLU . . . -125.15 -42.05 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.1 m -75.57 -178.8 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.7 ttpp -175.22 144.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -117.23 179.01 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.0 m -163.02 128.86 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.48 -177.75 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.0 m -144.87 118.35 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 92' ' ' HIS . 13.8 tp -80.51 144.81 32.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' H ' HD12 ' A' ' 91' ' ' LEU . 83.7 m-70 -127.27 124.55 39.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.415 ' O ' HD23 ' A' ' 72' ' ' LEU . 92.7 t -125.41 114.12 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.79 130.93 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -76.98 150.83 35.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -83.02 83.67 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.17 119.75 28.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.7 t -118.78 98.4 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.98 164.16 32.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -27.49 26.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.31 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 t -53.23 -48.35 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.5 m -74.68 -58.44 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -96.22 80.64 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 m -129.32 92.23 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.2 -47.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -90.62 80.18 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -171.7 114.76 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.27 145.57 6.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 151.15 68.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.733 ' HB2' ' HE ' ' A' ' 34' ' ' ARG . . . -110.52 31.05 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.04 170.64 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.496 HD11 ' HB ' ' A' ' 82' ' ' VAL . 24.5 mt -97.85 121.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.524 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.89 -36.54 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 48.1 mttm -108.94 98.25 28.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.942 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_endo -69.74 158.25 57.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 28' ' ' LEU . 15.9 mt -64.14 176.26 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 28.3 mp0 -140.09 141.09 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -51.27 118.03 2.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -92.57 144.21 25.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -126.73 108.36 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.407 HG11 HG22 ' A' ' 26' ' ' VAL . 13.4 m -137.71 -175.99 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.709 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.29 164.04 15.66 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.099 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.76 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.66 -7.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -96.96 171.83 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -95.87 165.27 12.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.495 ' HB ' HD12 ' A' ' 67' ' ' ILE . 95.1 t -139.34 146.01 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.65 117.83 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.9 mt -111.66 98.3 7.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -92.56 148.79 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -137.8 -177.61 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -136.75 151.37 49.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' C ' HD11 ' A' ' 12' ' ' ILE . 5.2 mt -135.09 140.85 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -59.27 -24.99 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.733 ' HE ' ' HB2' ' A' ' 9' ' ' ALA . 2.6 tmm_? -148.2 141.44 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB2' ' H ' ' A' ' 61' ' ' THR . . . -89.19 136.89 32.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.8 -36.23 2.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -72.13 129.23 88.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.75 54.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.489 HG11 ' HE1' ' A' ' 41' ' ' TRP . 4.2 p -99.37 156.0 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 1.8 t-160 -121.18 101.24 7.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.786 ' HB3' HD12 ' A' ' 48' ' ' ILE . 99.0 m95 -88.38 103.9 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.34 130.34 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -113.68 105.72 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.36 45.38 20.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 69.11 44.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -147.72 127.14 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 111.66 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.786 HD12 ' HB3' ' A' ' 41' ' ' TRP . 78.8 mt -71.43 145.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 mtt85 -120.47 126.26 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.58 112.44 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 8.6 t -150.19 167.74 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 42.3 tt0 -35.35 -35.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -76.31 -56.54 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -101.21 110.75 22.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.49 96.51 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 p -89.77 120.05 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t -107.88 137.03 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 38.2 t -125.35 104.09 8.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -121.99 -177.44 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 61' ' ' THR . . . -38.63 105.25 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.589 ' H ' ' HB2' ' A' ' 35' ' ' ALA . 72.5 p 35.33 44.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.403 ' O ' ' SD ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -153.16 112.18 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -113.97 143.96 43.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.0 ttp -140.08 158.21 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD22 ' CE3' ' A' ' 41' ' ' TRP . 8.1 tp -140.08 113.04 8.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.89 147.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' HB ' ' A' ' 26' ' ' VAL . 17.2 mt -129.87 88.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -61.07 136.39 58.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.42 77.7 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HA ' ' CG ' ' A' ' 74' ' ' ASP . . . -88.71 101.32 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.9 m -94.91 173.5 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -46.05 -31.67 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -71.58 -52.91 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.403 ' CG ' ' HA ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -38.18 -34.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -56.4 117.92 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -166.67 26.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -98.67 127.06 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -110.51 102.75 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.1 m -89.28 111.01 21.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -90.73 83.22 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 40' ' ' HIS . 5.7 tm-20 -75.17 140.69 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.7 p -133.57 179.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.744 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -32.95 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.31 -40.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.725 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.4 m -76.98 -176.98 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.9 ttpt -175.97 148.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.463 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 8.7 t -123.39 158.83 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.5 m -146.57 127.75 14.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.52 -177.58 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 m -145.66 106.51 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 75' ' ' ALA . 21.4 tp -71.77 145.2 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.73 126.54 43.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.419 HG13 ' C ' ' A' ' 21' ' ' ALA . 88.7 t -130.27 114.09 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -128.98 142.3 50.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -79.04 165.23 23.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -37.69 126.91 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.83 124.87 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.5 m -162.83 124.5 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.88 152.72 49.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -21.58 33.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t 41.92 48.71 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.4 m -128.72 126.39 39.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -78.5 -48.64 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -67.16 -40.73 86.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.79 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.56 -69.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -157.32 136.09 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.8 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -82.17 115.86 21.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.26 -152.49 24.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.04 66.85 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.704 2.27 . . . . 0.0 112.333 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -78.51 45.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.49 169.45 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -98.42 126.62 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.452 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -101.24 -36.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 78.9 mttt -105.75 96.42 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.78 157.16 61.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.7 mt -66.57 176.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -142.47 154.19 44.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -60.47 127.69 32.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -102.24 150.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -131.71 95.86 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.447 HG21 ' CG2' ' A' ' 26' ' ' VAL . 23.1 m -125.81 -174.89 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.769 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -109.42 165.88 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.769 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.7 91.13 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.9 -4.89 3.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -91.42 168.86 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -103.77 118.06 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' HB ' HD12 ' A' ' 67' ' ' ILE . 90.2 t -93.3 141.23 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.05 111.3 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.746 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.3 mt -103.62 107.61 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -97.16 150.75 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.982 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 27.7 p -137.18 -177.63 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.8 tp10 -138.52 142.21 39.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -127.83 136.12 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -60.05 -12.76 8.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -155.39 139.65 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -79.35 177.86 8.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.83 -52.78 4.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.559 HG21 ' HG2' ' A' ' 83' ' ' GLU . 52.4 m -60.53 117.8 28.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.557 0.694 . . . . 0.0 111.185 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 173.31 11.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.559 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 3.6 p -121.63 151.67 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.935 ' CE3' HD22 ' A' ' 65' ' ' LEU . 91.5 m95 -85.11 115.87 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.4 mt -117.92 144.13 45.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 48' ' ' ILE . 13.6 tttm -122.33 87.37 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 74.93 43.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 74.69 25.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -119.97 137.19 54.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -73.03 115.93 12.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' C ' ' A' ' 41' ' ' TRP . 39.3 mt -89.43 144.26 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -122.77 136.46 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -55.53 131.58 46.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 p -159.17 -176.95 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -58.84 -17.03 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.61 -51.58 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.453 ' HB3' HD11 ' A' ' 65' ' ' LEU . 49.0 m-85 -105.13 96.28 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.42 114.21 23.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -93.76 101.69 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.92 105.24 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.7 t -101.48 96.38 7.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' THR . 27.1 mt-10 -112.4 -175.03 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -37.51 96.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.591 HG23 ' HB2' ' A' ' 35' ' ' ALA . 45.9 p 42.3 44.12 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -145.29 106.55 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.982 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -103.66 105.58 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 41.4 ttp -104.49 150.92 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.935 HD22 ' CE3' ' A' ' 41' ' ' TRP . 47.6 tp -132.66 99.1 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 t -80.15 126.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.461 HD12 ' HB ' ' A' ' 26' ' ' VAL . 17.9 mt -109.36 79.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' GLY . 11.7 mmt180 -46.96 139.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 35.25 80.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.46 101.01 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.94 164.78 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.541 HD23 HG22 ' A' ' 93' ' ' VAL . 11.2 mt -47.02 -25.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -76.29 -42.18 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.61 -32.6 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.018 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -51.21 122.34 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.09 -162.08 24.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -105.51 123.29 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -103.23 102.08 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.435 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 51.6 m -97.25 111.73 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.91 90.91 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -82.27 116.99 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.802 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.6 p -108.3 -174.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.802 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -30.31 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.45 -30.24 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.487 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.3 t -82.61 -177.67 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.8 ttpp -176.11 147.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -124.23 166.02 16.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.6 m -146.32 138.38 25.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -141.62 -177.26 5.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 111.31 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.42 132.27 37.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.28 132.37 56.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.018 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.64 135.06 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -145.16 131.84 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.41 168.92 19.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -97.39 41.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 43.38 43.6 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.8 p -103.21 95.24 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.48 146.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 115.01 3.9 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -43.98 154.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.0 t -133.13 95.35 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -119.54 104.6 10.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -71.61 170.74 12.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.91 -55.19 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -38.83 -59.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 65.3 p -116.64 38.84 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.56 96.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 6' ' ' SER . 54.3 Cg_endo -69.68 176.28 6.92 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.721 ' HB3' ' CD ' ' A' ' 83' ' ' GLU . . . -112.65 13.57 19.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.39 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 31' ' ' GLU . 31.3 mt -95.42 111.07 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.551 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -83.76 -37.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 49.4 mttt -107.66 93.23 9.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 28' ' ' LEU . 3.8 mt -60.49 175.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -144.12 145.07 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.48 123.36 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -101.04 147.54 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.4 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 9.9 m-90 -128.87 98.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.624 HG11 HG22 ' A' ' 26' ' ' VAL . 20.2 m -124.34 -177.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.75 163.08 17.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 111.091 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.4 Cg_endo -69.78 90.58 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.98 -12.79 3.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.38 172.54 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.85 146.25 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.624 HG22 HG11 ' A' ' 20' ' ' VAL . 61.5 t -117.43 141.48 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -127.73 103.36 7.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.6 ' HB3' HD22 ' A' ' 15' ' ' LEU . 7.8 mt -93.11 91.93 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -92.29 154.28 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -148.65 -175.74 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.5 tp10 -129.48 154.27 47.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 31' ' ' GLU . 2.6 mt -141.22 137.71 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -57.36 -18.6 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -139.82 153.6 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' HG22 ' A' ' 61' ' ' THR . . . -94.92 176.81 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.71 31.24 15.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.648 HG23 ' HD2' ' A' ' 38' ' ' PRO . 99.7 m -99.95 138.86 20.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 37' ' ' THR . 53.5 Cg_endo -69.76 145.07 56.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.8 p -128.64 161.37 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -132.41 110.84 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.678 ' CE3' HD22 ' A' ' 65' ' ' LEU . 97.8 m95 -91.89 108.75 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.39 126.59 52.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.749 ' HB2' HD11 ' A' ' 48' ' ' ILE . 17.8 tptp -110.13 103.75 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 57.63 45.67 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 3.9 mmm180 68.99 43.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -150.68 116.64 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 122.33 10.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 43' ' ' LYS . 49.2 mt -86.18 143.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -107.64 138.79 43.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -63.0 138.97 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.1 p -174.69 166.38 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -41.92 -24.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' SER . 2.5 tppp? -84.62 -52.97 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -107.52 84.73 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.55 109.6 9.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -89.85 117.49 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.559 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.1 OUTLIER -132.38 157.82 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 43.8 t -164.05 122.34 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -148.43 142.46 25.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.75 54.22 4.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 35' ' ' ALA . 7.6 p 55.88 42.31 29.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ttp -135.01 93.77 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.579 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -87.97 124.6 33.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.559 ' HB3' HG13 ' A' ' 57' ' ' VAL . 36.7 ttp -125.31 148.16 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.678 HD22 ' CE3' ' A' ' 41' ' ' TRP . 40.2 tp -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.66 138.55 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 67' ' ' ILE . 18.9 mt -123.17 74.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -47.17 133.14 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.61 80.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.1 99.86 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.4 m -90.93 170.38 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.875 HD23 HG12 ' A' ' 93' ' ' VAL . 38.8 mt -52.22 -19.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -81.16 -40.6 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.78 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.6 116.71 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.38 -165.87 27.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -98.43 131.74 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -114.43 100.55 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 38.9 m -92.07 109.99 21.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.463 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 7.1 t -88.61 91.95 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -83.75 123.04 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.704 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -112.33 -174.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.721 ' CD ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -32.47 -58.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -133.24 -33.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.453 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -79.41 178.79 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 11.7 ttpp -169.82 149.21 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -130.38 143.49 50.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.5 m -122.55 141.4 51.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.96 -176.74 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.9 m -146.3 123.11 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -89.66 136.9 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 96.5 m-70 -116.54 138.8 51.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.875 HG12 HD23 ' A' ' 72' ' ' LEU . 45.2 t -140.98 121.42 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.417 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 5.6 mm-40 -143.45 151.34 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -95.67 140.41 30.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -96.82 153.18 18.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.73 109.09 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 m -68.8 88.73 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.22 -165.1 12.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t 74.52 50.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 t -138.72 105.13 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -117.87 -44.42 2.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -75.74 90.22 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.18 105.55 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -158.81 107.82 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -56.2 88.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.28 -168.26 18.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -170.26 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.652 ' HB1' ' OG1' ' A' ' 37' ' ' THR . . . -111.81 24.28 12.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 175.72 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' GLU . 15.1 mt -97.92 122.09 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.535 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -89.48 -35.28 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 17.5 mtpp -110.46 100.96 47.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.696 . . . . 0.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.9 Cg_endo -69.76 156.59 62.96 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 28' ' ' LEU . 48.9 mt -66.46 158.23 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -119.62 174.74 6.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -84.42 143.24 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' HD12 ' A' ' 91' ' ' LEU . 8.4 mp0 -125.26 131.52 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.436 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 29.9 m-90 -116.46 107.34 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -130.41 -175.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.639 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -103.18 161.93 21.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.7 87.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.22 -12.24 1.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -92.39 176.44 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -100.23 155.23 17.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.5 t -128.51 137.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -125.88 135.06 51.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.9 mt -130.22 97.77 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 13.7 mtp180 -88.61 152.72 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.1 p -139.44 -176.9 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.3 tt0 -140.47 146.56 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.889 HD13 ' HB ' ' A' ' 37' ' ' THR . 4.6 mt -130.11 131.47 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 42.3 t -54.26 -25.07 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -141.96 141.11 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.596 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -67.72 -176.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.31 17.78 19.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.889 ' HB ' HD13 ' A' ' 32' ' ' LEU . 53.6 m -95.25 105.19 18.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.573 0.701 . . . . 0.0 111.161 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.84 58.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.594 HG11 ' NE1' ' A' ' 41' ' ' TRP . 3.7 p -109.82 164.64 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.44 ' H ' HG22 ' A' ' 39' ' ' VAL . 2.2 t-160 -129.9 79.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.953 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.4 m95 -61.18 112.57 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mt -113.06 128.24 56.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -113.23 103.92 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.38 45.1 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 68.82 42.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -146.41 129.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 118.74 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.884 HD12 ' HB3' ' A' ' 41' ' ' TRP . 76.3 mt -78.93 144.58 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -106.68 164.79 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -105.42 112.31 25.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -158.81 -178.43 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -41.17 -36.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' NZ ' HG23 ' A' ' 67' ' ' ILE . 16.7 tptp -73.46 -62.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -103.01 107.95 18.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.03 98.75 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -89.42 117.08 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.455 ' O ' HG12 ' A' ' 57' ' ' VAL . 69.7 t -99.91 81.54 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 33.7 t -91.91 89.48 7.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -116.91 95.08 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.49 -126.19 37.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 35' ' ' ALA . 68.5 p -87.4 37.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 111.105 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.513 ' CE ' ' C ' ' A' ' 63' ' ' ALA . 1.5 tpt -151.45 105.01 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.513 ' C ' ' CE ' ' A' ' 62' ' ' MET . . . -119.72 127.62 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.498 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 64.3 ttp -125.2 169.09 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.953 HD22 ' CE3' ' A' ' 41' ' ' TRP . 29.6 tp -143.76 108.83 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.86 138.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.45 HG23 ' NZ ' ' A' ' 53' ' ' LYS . 25.4 mt -122.51 95.95 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -63.58 133.7 54.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.08 78.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 101.88 12.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.8 m -88.76 171.97 9.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.489 HD23 HG12 ' A' ' 93' ' ' VAL . 45.0 mt -49.81 -38.82 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -70.37 -46.53 63.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -44.53 -33.7 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.95 117.55 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -158.36 -157.2 8.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.97 114.55 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -96.97 111.35 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 87' ' ' SER . 61.4 m -104.27 107.97 19.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.57 ' SG ' ' CE3' ' A' ' 41' ' ' TRP . 1.5 m -87.31 83.48 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.503 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 7.1 tt0 -75.99 121.0 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.745 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -102.06 -175.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.745 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.03 -68.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.76 -28.58 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.442 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.1 t -88.29 -177.96 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 11.7 pttp -174.67 142.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 79' ' ' THR . 42.0 t -110.93 170.16 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.4 m -152.2 133.34 14.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.74 170.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 m -133.92 106.32 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 92' ' ' HIS . 24.0 tp -77.43 150.45 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.71 ' H ' HD12 ' A' ' 91' ' ' LEU . 54.2 m80 -133.01 137.29 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG12 HD23 ' A' ' 72' ' ' LEU . 80.9 t -137.43 117.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -137.36 142.63 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.28 138.48 47.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -39.06 134.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.0 -54.31 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.7 p -51.2 164.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 125.06 148.72 7.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -2.69 10.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.65 2.233 . . . . 0.0 112.37 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 t -43.64 135.92 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.6 p -154.24 175.02 14.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -87.01 -46.82 9.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.914 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -174.83 145.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.63 -83.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -106.5 120.46 41.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -69.33 -9.15 52.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.38 -148.65 18.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.21 22.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . -118.45 32.01 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.757 ' HB1' ' OG ' ' A' ' 85' ' ' SER . . . -65.54 167.38 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.6 mt -93.76 116.44 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.549 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -84.96 -35.92 10.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 18.9 mtpt -107.92 101.63 41.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.79 156.56 62.97 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.67 -176.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -148.77 177.5 9.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.09 126.19 34.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -100.8 137.74 38.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -119.71 97.6 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.91 -174.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.71 163.42 17.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.694 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.76 89.99 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -14.09 1.84 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -89.05 168.25 12.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -100.17 130.22 46.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -100.18 145.76 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.48 114.94 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.83 99.54 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -92.98 163.72 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.7 p -152.35 -175.83 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 11' ' ' ILE . 13.1 tt0 -136.75 150.4 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.2 mt -132.95 132.06 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.445 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 28.9 t -56.46 -17.74 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -154.3 141.48 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -83.15 175.05 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.75 33.87 45.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.613 HG21 ' HG2' ' A' ' 83' ' ' GLU . 26.7 m -136.51 116.27 10.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 111.123 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.46 50.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.501 HG11 ' NE1' ' A' ' 41' ' ' TRP . 2.8 p -100.46 162.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -122.41 96.38 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.673 ' HB3' HD12 ' A' ' 48' ' ' ILE . 94.7 m95 -79.26 116.31 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.7 mt -117.25 120.46 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HB2' HD11 ' A' ' 48' ' ' ILE . 20.6 tttp -102.61 92.52 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 71.65 49.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 62.29 38.74 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -144.21 119.89 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -53.69 126.33 21.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' A' ' 41' ' ' TRP . 57.5 mt -87.32 144.09 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.86 133.33 53.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.82 136.91 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -172.05 161.76 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.7 tt0 -38.24 -31.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -77.58 -54.11 6.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -105.5 85.4 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.98 114.72 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.42 112.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.2 OUTLIER -127.85 156.87 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 21.5 t -169.32 115.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.89 102.34 10.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.83 -103.34 1.65 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.552 HG23 ' HB2' ' A' ' 35' ' ' ALA . 81.5 p -120.03 41.34 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 0.0 111.1 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.2 ttp -143.72 105.16 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -94.23 134.88 36.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.534 ' HB3' HG13 ' A' ' 57' ' ' VAL . 34.1 ttp -131.34 150.5 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.551 HD22 ' CE3' ' A' ' 41' ' ' TRP . 41.1 tp -134.67 103.01 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.18 142.1 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 67' ' ' ILE . 18.0 mt -125.39 74.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -44.67 134.83 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.12 81.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.12 100.91 13.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -91.9 166.64 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.629 HD23 HG12 ' A' ' 93' ' ' VAL . 40.9 mt -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -69.12 -46.84 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.53 -43.14 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.9 130.16 9.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.66 -170.19 38.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -98.15 128.75 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -111.26 100.3 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -97.38 111.47 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -91.03 87.03 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -78.32 94.93 4.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -84.44 -178.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.794 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -26.83 -72.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -33.8 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.757 ' OG ' ' HB1' ' A' ' 10' ' ' ALA . 20.3 m -78.14 -179.99 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 87' ' ' SER . 8.6 ttpt -175.68 143.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.4 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 4.5 t -124.3 165.81 17.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 m -143.54 135.86 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.64 173.04 11.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.1 p -138.57 113.36 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' H ' ' A' ' 92' ' ' HIS . 23.4 tp -81.72 144.15 31.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.481 ' H ' HD12 ' A' ' 91' ' ' LEU . 30.5 m80 -124.68 145.04 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 72' ' ' LEU . 55.5 t -144.35 121.72 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -136.96 137.34 39.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -85.87 142.75 28.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -69.35 122.82 19.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.15 137.15 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -102.07 -55.05 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.24 174.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 90.18 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -57.06 160.35 3.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.3 p -121.3 -43.86 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -101.51 82.05 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -110.77 128.33 55.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.38 177.71 42.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -46.24 114.98 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -118.41 139.08 51.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.57 179.05 32.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 153.4 69.28 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . -83.59 33.73 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 85' ' ' SER . . . -57.94 171.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.4 mt -97.99 123.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.5 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -92.0 -35.77 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 3.0 mtpm? -109.63 102.4 49.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_endo -69.75 157.04 61.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 28' ' ' LEU . 80.5 mt -64.28 178.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -146.38 145.38 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.0 127.38 23.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -104.23 135.18 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 10.1 m-90 -121.94 103.08 8.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.44 HG11 HG22 ' A' ' 26' ' ' VAL . 9.3 m -129.0 -174.76 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.31 162.49 19.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.2 Cg_endo -69.74 88.26 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.58 -10.94 2.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -90.89 174.12 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.36 137.79 41.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG11 ' A' ' 20' ' ' VAL . 53.1 t -109.38 136.01 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -126.8 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB3' HD22 ' A' ' 15' ' ' LEU . 8.8 mt -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 29' ' ' ARG . 27.2 mtm105 -97.16 146.05 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -135.19 -175.51 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -138.15 136.68 36.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.6 mt -121.42 134.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 14.9 t -56.39 -19.53 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.539 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 16.1 ttm180 -144.7 138.82 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.702 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -82.99 157.66 22.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.69 -48.8 1.02 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.3 m -60.33 119.95 47.33 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.562 0.696 . . . . 0.0 111.118 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 168.93 20.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.561 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 9.8 p -120.97 145.67 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -100.74 96.45 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.698 ' HB3' HD12 ' A' ' 48' ' ' ILE . 96.3 m95 -77.74 112.92 15.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.02 118.27 33.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.661 ' HB2' HD11 ' A' ' 48' ' ' ILE . 40.5 tttt -107.39 102.57 11.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 63.43 47.45 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 62.16 45.1 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -149.21 116.99 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.23 124.52 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.698 HD12 ' HB3' ' A' ' 41' ' ' TRP . 55.9 mt -87.61 138.47 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -111.78 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -51.32 125.23 13.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 52' ' ' GLN . 59.5 p -161.13 171.54 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.4 tt0 -37.7 -43.06 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -67.78 -57.93 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.645 ' HB3' HD11 ' A' ' 65' ' ' LEU . 47.8 m-85 -100.13 117.2 33.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.26 95.24 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.53 107.25 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.445 HG12 ' HG2' ' A' ' 59' ' ' GLU . 60.4 t -107.01 98.21 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.2 t -97.4 90.42 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.445 ' HG2' HG12 ' A' ' 57' ' ' VAL . 74.2 mm-40 -87.93 42.05 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.81 -92.29 1.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 35' ' ' ALA . 73.8 p -103.48 32.69 3.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 111.156 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 ttp -153.31 114.85 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -107.87 110.09 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.7 ttp -109.5 128.28 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 54' ' ' TYR . 29.6 tp -111.93 102.7 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.14 118.91 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.6 mt -104.6 79.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -46.71 140.66 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.72 82.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.14 100.12 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.0 m -89.09 168.71 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.1 mt -43.12 -42.36 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.42 -52.05 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.71 -37.7 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.96 119.95 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.44 -167.23 30.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -96.25 133.63 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -116.49 100.32 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.9 m -97.46 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.37 90.25 7.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.14 113.91 19.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.822 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -108.58 -177.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.822 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.2 -73.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.65 -34.0 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.789 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -81.88 176.48 9.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' A' ' 87' ' ' SER . 6.3 ttpt -175.59 147.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.488 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 19.4 t -122.39 174.58 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.4 m -155.35 132.62 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.82 170.4 15.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -133.95 122.69 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.597 HD12 ' H ' ' A' ' 92' ' ' HIS . 22.5 tp -85.16 146.66 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.597 ' H ' HD12 ' A' ' 91' ' ' LEU . 73.2 m-70 -128.54 133.39 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.35 118.29 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.59 132.77 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.82 163.47 28.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -80.33 116.13 20.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.27 89.02 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -148.41 123.59 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.51 164.56 13.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 91.1 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -70.08 119.96 15.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.0 p -128.59 138.26 52.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 m -103.49 -46.72 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -97.35 84.27 3.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.41 169.41 28.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 p -54.94 166.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -156.7 172.81 17.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.38 153.05 12.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 175.26 8.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HB3' HG21 ' A' ' 37' ' ' THR . . . -102.29 16.1 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.28 155.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' GLU . 11.7 mt -93.59 119.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.04 -36.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 46.2 mttm -107.37 95.96 14.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.7 158.82 55.7 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.6 mt -66.4 -177.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 42.9 mp0 -144.42 148.24 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -56.6 120.21 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.592 HE21 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -101.86 137.34 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 29.8 m-90 -120.08 104.07 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -127.94 -177.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -104.79 162.02 21.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.71 87.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.71 -11.32 1.7 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -91.69 170.4 9.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.811 0.338 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.3 143.56 26.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.41 135.49 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -129.57 120.45 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.592 HD23 HE21 ' A' ' 18' ' ' GLN . 5.6 mt -116.31 100.43 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -93.59 150.98 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -141.33 -175.09 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.8 tp10 -136.56 150.26 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 61' ' ' THR . 2.2 mt -133.64 143.99 48.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -57.21 -33.64 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.501 ' C ' HG22 ' A' ' 61' ' ' THR . 5.3 ptm180 -142.69 146.49 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.46 -175.2 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.7 41.03 99.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.466 HG21 ' HB3' ' A' ' 9' ' ' ALA . 98.2 m -141.35 105.06 6.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 146.83 61.29 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 6.0 p -102.35 154.78 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.517 ' NE2' HD21 ' A' ' 42' ' ' LEU . 19.3 t60 -112.03 105.01 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.676 ' CD2' HD22 ' A' ' 65' ' ' LEU . 84.5 m95 -85.84 115.67 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.3 mt -118.03 119.26 34.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -98.84 95.04 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.87 53.72 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 64.45 46.4 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -148.84 117.94 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -63.87 122.26 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 41' ' ' TRP . 52.8 mt -84.09 141.69 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -104.13 146.28 28.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 16.0 ttmt -84.03 124.45 31.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 53' ' ' LYS . 20.6 p -163.79 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -38.81 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -81.43 -63.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.41 ' CD2' ' HG3' ' A' ' 53' ' ' LYS . 83.7 m-85 -99.26 112.64 24.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -103.68 100.44 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -98.54 105.23 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -109.13 158.01 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.526 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 52.9 t -157.98 117.78 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -150.69 145.88 26.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.82 62.37 1.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' LEU . 73.3 p 49.48 38.87 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 111.166 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.1 ttp -134.82 95.6 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.69 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.01 124.3 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.456 ' HB3' HG13 ' A' ' 57' ' ' VAL . 59.7 ttp -128.81 149.49 50.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.676 HD22 ' CD2' ' A' ' 41' ' ' TRP . 18.9 tp -132.89 116.85 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.6 t -96.85 140.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.9 mt -125.4 86.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -50.03 135.02 21.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.89 82.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.24 100.63 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -81.96 167.18 19.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 HG12 ' A' ' 93' ' ' VAL . 37.5 mt -44.08 -38.74 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptp? -63.65 -50.13 70.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' LYS . 1.1 m-20 -36.28 -41.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.37 143.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.17 178.11 35.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.46 119.8 31.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.94 99.69 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -89.81 110.33 21.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.49 ' SG ' HG21 ' A' ' 39' ' ' VAL . 1.5 m -84.93 81.32 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.53 128.34 35.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.686 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -127.87 -174.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.686 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -32.21 -72.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.67 -27.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.605 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.4 m -80.69 172.27 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 85' ' ' SER . 26.3 mtmt -162.92 148.51 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 t -140.14 145.03 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -154.66 142.34 19.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -104.7 117.98 35.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.1 tp -90.97 133.66 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 37.8 m80 -116.71 126.7 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.405 HG12 HD23 ' A' ' 72' ' ' LEU . 60.5 t -127.34 108.96 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -139.9 137.8 35.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -79.03 138.58 38.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -51.25 111.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.29 139.64 47.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -102.5 -57.37 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.99 149.03 4.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.7 52.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.2 t -112.77 80.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.0 m -109.81 152.11 26.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.534 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -96.87 133.39 41.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.89 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -81.25 -52.04 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.38 143.66 7.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' SER . 45.0 m -130.16 173.49 10.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.882 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 22.7 p -36.55 -40.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.78 -156.45 20.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 175.99 7.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.312 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . -117.95 31.76 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.23 168.28 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 82' ' ' VAL . 31.7 mt -95.99 126.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.421 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -101.87 -35.57 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 98.0 mttt -110.34 98.36 35.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.81 156.4 63.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.7 mt -67.88 176.46 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -141.88 142.9 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -44.31 143.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.52 140.05 51.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.517 ' CE2' ' ND1' ' A' ' 92' ' ' HIS . 11.6 m-90 -126.15 99.53 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG11 HG22 ' A' ' 26' ' ' VAL . 19.2 m -127.94 -175.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.2 161.38 23.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.355 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -8.53 1.64 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -93.01 175.14 6.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -102.73 143.3 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG22 HG11 ' A' ' 20' ' ' VAL . 55.5 t -119.29 145.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -135.58 118.78 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.741 ' HB3' HD22 ' A' ' 15' ' ' LEU . 9.7 mt -111.4 95.8 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -90.31 152.52 21.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -140.82 -179.08 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tp10 -132.92 140.29 47.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.9 mt -126.39 140.5 52.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -64.44 -11.18 30.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -153.35 132.16 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.722 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -81.26 146.67 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.38 -36.73 3.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.647 HG21 ' HG2' ' A' ' 83' ' ' GLU . 60.8 m -68.12 118.61 60.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.723 . . . . 0.0 111.09 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.89 63.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -105.41 147.99 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -106.64 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.517 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 96.3 m95 -87.38 118.83 27.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 46' ' ' LYS . 6.3 mt -119.24 131.95 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.769 ' HB2' HD11 ' A' ' 48' ' ' ILE . 8.9 tttm -114.48 104.69 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 63.64 45.12 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 68.91 26.33 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.617 ' O ' HD23 ' A' ' 42' ' ' LEU . 9.2 ptpt -114.03 159.6 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.28 114.94 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.769 HD11 ' HB2' ' A' ' 43' ' ' LYS . 25.3 mt -90.78 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -124.5 131.61 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -50.76 119.22 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -150.3 169.89 20.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.654 ' HB3' HD11 ' A' ' 65' ' ' LEU . 41.1 m-85 -93.73 99.78 12.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 108.42 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.55 110.46 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.59 90.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.7 t -88.88 93.47 9.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' THR . 5.5 mm-40 -105.38 179.16 4.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.38 95.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.722 HG23 ' HB2' ' A' ' 35' ' ' ALA . 41.3 p 48.27 45.35 20.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.333 . . . . 0.0 111.163 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.2 ttp -149.26 106.02 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.592 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -102.19 104.28 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.0 ttp -109.02 138.96 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 54' ' ' TYR . 15.6 tp -122.14 106.72 11.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.61 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 67' ' ' ILE . 16.6 mt -111.87 74.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -44.45 138.2 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.98 81.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.82 102.09 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.6 m -96.67 169.46 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.841 HD23 HG12 ' A' ' 93' ' ' VAL . 42.1 mt -40.01 -38.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -63.24 -54.88 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -40.14 -42.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.95 119.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.43 169.1 41.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.78 128.22 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.77 110.3 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.2 m -103.77 111.6 24.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.517 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -88.76 84.11 6.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.37 104.06 4.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.769 HG22 ' H ' ' A' ' 83' ' ' GLU . 3.2 p -93.98 177.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.769 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -29.2 -69.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.97 -38.83 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.693 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -77.72 -175.87 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 17.7 ttpt -176.27 142.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -114.92 168.35 9.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 m -152.75 124.5 7.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.204 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.12 158.33 44.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.9 t -118.09 132.8 56.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.67 138.85 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.517 ' ND1' ' CE2' ' A' ' 19' ' ' TRP . 16.5 m80 -117.4 142.24 47.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.841 HG12 HD23 ' A' ' 72' ' ' LEU . 72.6 t -140.5 116.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -138.75 131.95 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -78.49 142.8 37.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 162.98 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -171.04 166.68 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.1 p -104.08 97.87 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.46 163.53 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -5.33 16.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 m -118.23 90.58 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.9 t -116.51 97.96 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -57.71 166.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.497 HG12 HD23 ' A' ' 32' ' ' LEU . 74.0 mt -95.25 118.64 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -94.0 -36.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 97.4 mttt -106.33 96.03 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.73 157.29 60.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 28' ' ' LEU . 5.0 mt -66.99 -176.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 32.4 mt-10 -148.51 166.5 28.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -69.61 121.82 17.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.617 HE21 HD23 ' A' ' 28' ' ' LEU . 1.8 mp0 -103.73 142.46 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -122.48 107.05 11.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 m -132.12 -175.52 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.06 162.0 21.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 111.088 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.638 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.3 Cg_endo -69.71 85.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.89 -6.83 1.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -92.82 164.23 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.97 132.33 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.25 136.71 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.44 113.01 15.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.617 HD23 HE21 ' A' ' 18' ' ' GLN . 6.8 mt -105.62 98.91 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -91.48 163.45 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.663 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.7 p -152.52 -176.4 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.5 tp10 -137.46 138.51 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD23 HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -125.76 144.58 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -63.8 -9.17 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -157.56 152.33 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.866 0.365 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -134.83 107.15 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CD2' HD22 ' A' ' 65' ' ' LEU . 99.1 m95 -87.91 112.45 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -109.63 116.8 32.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.93 ' HB2' HD11 ' A' ' 48' ' ' ILE . 1.8 tmtt? -111.59 113.52 25.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.442 ' CG ' ' HD3' ' A' ' 43' ' ' LYS . 85.1 m-20 63.61 41.08 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 63.8 31.54 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -129.62 136.91 50.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.03 124.03 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.93 HD11 ' HB2' ' A' ' 43' ' ' LYS . 24.1 mt -93.9 153.66 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -125.08 126.12 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -51.28 119.38 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 57.7 p -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.7 tp60 -35.73 -50.05 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.19 -62.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.524 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 48.0 m-85 -93.18 106.98 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -100.21 96.96 7.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.4 t -73.96 100.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -145.5 121.88 10.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.663 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -112.41 105.89 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.4 ttp -107.95 142.32 38.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.591 HD22 ' CD2' ' A' ' 41' ' ' TRP . 38.8 tp -126.05 109.48 12.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 t -87.4 121.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 67' ' ' ILE . 16.6 mt -106.78 74.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -43.16 135.93 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.96 82.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 101.97 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 m -84.13 169.6 14.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 mt -49.25 -28.42 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -75.17 -43.94 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.49 ' O ' ' CE ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -44.58 -24.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.15 123.14 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.46 37.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -93.18 109.25 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.394 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -89.29 113.08 24.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.3 m -108.47 107.81 18.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 t -81.31 87.32 6.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.93 99.8 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.777 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.9 p -96.22 -177.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.777 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -30.97 -71.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.45 -30.98 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.1 t -73.71 179.05 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 17.7 mtmm -166.83 140.87 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.5 t -131.42 134.88 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.8 m -119.49 146.39 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -154.76 169.45 23.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -127.59 120.08 27.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.65 HD12 ' H ' ' A' ' 92' ' ' HIS . 22.8 tp -88.66 146.49 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.65 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.8 m-70 -125.12 151.0 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.2 t -157.38 112.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.434 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 38.4 mt-10 -134.35 144.07 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.758 0.313 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -47.8 164.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.0 mt -97.31 130.29 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -103.78 -35.97 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 63.2 mttm -109.77 97.14 27.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.535 0.684 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.9 Cg_endo -69.7 162.66 41.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 28' ' ' LEU . 4.5 mt -70.82 172.82 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -138.18 146.78 43.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.23 126.81 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -98.66 147.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.464 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 5.0 m-90 -131.33 95.54 3.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.68 -176.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.7 164.48 14.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.1 Cg_endo -69.72 87.62 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.63 -10.98 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.53 176.24 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -100.97 148.71 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.39 147.97 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.06 125.4 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.813 ' HB3' HD22 ' A' ' 15' ' ' LEU . 15.5 mt -121.89 90.29 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 17.0 mtm105 -88.58 151.96 22.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.787 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 6.4 p -141.26 -175.94 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 11' ' ' ILE . 14.6 tt0 -135.1 144.91 47.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 11' ' ' ILE . 6.4 mt -131.6 131.87 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -51.23 -28.71 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' C ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -133.86 143.52 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.988 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.541 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 4.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.8 0.333 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -106.41 106.22 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.613 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.8 m95 -88.68 107.94 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.19 119.87 40.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HB2' HD11 ' A' ' 48' ' ' ILE . 35.1 tttm -108.12 102.0 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.99 51.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 57.38 45.69 19.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -149.71 122.15 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 125.73 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 43' ' ' LYS . 35.6 mt -88.54 148.43 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -111.96 133.46 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -64.87 111.27 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.6 t -154.42 169.4 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.5 pt20 -34.51 -36.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HZ2' HG23 ' A' ' 67' ' ' ILE . 18.5 tptp -70.0 -59.78 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' HB3' HD11 ' A' ' 65' ' ' LEU . 60.0 m-85 -109.22 122.13 46.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.62 113.99 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.03 103.23 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.887 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.988 HG23 ' HB2' ' A' ' 35' ' ' ALA . 52.5 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.778 0.323 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.7 ttp -142.91 105.09 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.787 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -97.01 114.11 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.413 ' CG ' ' HG2' ' A' ' 29' ' ' ARG . 59.8 ttp -117.78 137.11 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.613 HD22 ' CE3' ' A' ' 41' ' ' TRP . 53.6 tp -119.62 101.01 7.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -81.71 129.15 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.571 HG23 ' HZ2' ' A' ' 53' ' ' LYS . 14.0 mt -117.16 86.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -56.36 135.72 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.25 81.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.47 102.04 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.6 m -83.14 167.98 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD23 HG12 ' A' ' 93' ' ' VAL . 26.9 mt -53.99 -23.78 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -83.73 -36.23 23.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' OD2' ' NZ ' ' A' ' 53' ' ' LYS . 2.8 m-20 -51.35 -22.14 2.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 120.38 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.2 -172.73 33.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -98.98 130.62 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -111.81 112.02 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.0 m -100.48 108.09 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.25 77.45 9.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.02 116.65 8.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.783 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.3 p -109.65 -178.4 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.783 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.13 -69.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.1 -32.33 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.463 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.1 t -73.06 -175.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -166.42 147.01 6.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -134.82 128.62 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -115.8 148.0 40.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -159.14 163.21 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -126.09 131.0 52.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -97.45 137.11 36.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.464 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 79.4 m-70 -117.58 144.93 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.481 HG12 HD23 ' A' ' 72' ' ' LEU . 75.1 t -141.06 107.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -132.38 136.73 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.653 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.784 0.326 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' ' OG ' ' A' ' 85' ' ' SER . . . -71.51 169.73 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.721 HD11 ' HB ' ' A' ' 82' ' ' VAL . 65.2 mt -97.04 106.84 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.568 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -80.17 -37.73 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 68.5 mttt -105.66 93.75 7.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.907 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.79 155.88 64.72 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 28' ' ' LEU . 16.5 mt -62.09 176.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -144.29 162.81 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.4 127.09 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -103.03 149.48 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.566 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 8.9 m-90 -133.0 97.29 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.2 m -128.31 -176.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.1 161.19 23.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.619 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.74 87.08 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.8 -11.32 1.09 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -90.6 178.45 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.86 125.43 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.429 ' HB ' HD12 ' A' ' 67' ' ' ILE . 91.0 t -94.25 144.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.05 107.8 7.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.826 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.9 mt -98.69 96.9 8.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 26.4 mtm105 -92.84 143.19 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -135.36 -175.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -135.83 147.92 48.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' CG2' ' A' ' 61' ' ' THR . 3.4 mt -133.03 132.41 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.0 t -57.57 -15.02 6.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 24.4 ttm180 -154.73 140.96 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.352 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -124.52 102.31 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.591 ' HB3' HD12 ' A' ' 48' ' ' ILE . 97.8 m95 -83.28 112.49 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.14 125.73 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.699 ' HB2' HD11 ' A' ' 48' ' ' ILE . 9.0 tttm -110.48 90.46 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 72.44 51.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 63.52 38.88 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -143.06 129.1 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.7 119.18 12.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 43' ' ' LYS . 62.4 mt -81.76 136.56 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 124.28 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -55.3 110.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 39.6 p -149.39 172.53 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.5 mt-30 -37.5 -41.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -69.06 -54.85 12.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.462 ' CD2' HG23 ' A' ' 48' ' ' ILE . 46.4 m-85 -102.42 113.9 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.43 93.08 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.2 t -71.62 94.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.5 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -146.05 109.04 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.452 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -100.24 115.61 30.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.0 ttp -115.38 129.53 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.545 HD22 ' CE3' ' A' ' 41' ' ' TRP . 31.8 tp -113.92 101.21 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.2 t -76.17 137.68 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.474 HD13 ' OH ' ' A' ' 78' ' ' TYR . 18.6 mt -121.51 81.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -51.11 139.11 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.02 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.55 100.98 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -92.3 167.25 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 mt -39.84 -38.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -61.08 -47.37 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.78 -38.76 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.493 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -47.27 116.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.92 -166.11 30.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -99.03 130.43 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' A' ' 67' ' ' ILE . 95.2 m-85 -108.19 100.12 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 86' ' ' LYS . 99.6 m -94.42 111.67 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.3 t -91.92 94.81 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -81.82 99.69 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.789 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -91.42 179.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.789 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.3 -70.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.36 -28.3 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.685 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -81.44 -179.15 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 79' ' ' THR . 13.8 ttmt -160.16 159.71 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 t -144.32 128.17 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.4 m -117.13 145.27 43.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.78 165.38 36.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.5 p -125.66 123.12 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 75' ' ' ALA . 11.6 tp -91.95 144.37 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 71.4 m-70 -125.72 134.16 51.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.7 t -135.87 106.86 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -123.57 130.88 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.576 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.786 0.327 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 178.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.635 HD11 ' HB ' ' A' ' 82' ' ' VAL . 57.2 mt -100.58 121.2 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.679 HD11 ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.33 -36.1 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 33.9 mtpt -115.43 110.2 45.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.75 157.65 59.68 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 80' ' ' CYS . 87.0 mt -61.1 175.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -139.48 162.27 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 4.9 p30 -76.54 123.34 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -104.35 140.01 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 9.7 m-90 -120.21 110.36 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 m -133.41 -175.07 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.662 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.35 162.8 18.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.82 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.11 -10.15 0.99 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.84 -178.45 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -114.38 124.5 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.617 ' HB ' HD12 ' A' ' 67' ' ' ILE . 55.7 t -88.06 152.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -140.83 110.4 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 65' ' ' LEU . 5.5 mt -105.07 98.44 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -95.66 156.56 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -148.08 -175.03 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.679 ' OE1' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -132.68 133.58 43.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 3.0 mt -118.09 132.91 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.462 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 10.2 p -52.7 -22.25 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 66.2 ttt-85 -143.23 132.55 23.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.613 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 40' ' ' HIS . 7.9 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.85 0.357 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' N ' HG22 ' A' ' 39' ' ' VAL . 2.5 t-160 -132.31 93.63 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.608 ' CE3' HD22 ' A' ' 65' ' ' LEU . 95.7 m95 -77.92 109.82 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 47' ' ' ALA . 5.8 mt -109.99 127.88 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.828 ' HB2' HD11 ' A' ' 48' ' ' ILE . 10.3 tmtt? -116.46 102.93 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.74 45.51 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 65.92 41.67 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -143.22 129.14 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -70.66 112.66 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.075 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.828 HD11 ' HB2' ' A' ' 43' ' ' LYS . 22.3 mt -78.87 161.05 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.517 ' N ' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -125.05 164.4 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -85.29 127.3 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -168.24 -179.73 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.61 -42.28 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -68.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 24.6 m-85 -95.49 110.67 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -106.02 111.81 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -82.18 118.69 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.0 ttp -146.55 108.15 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -101.72 106.85 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 32.8 ttp -112.16 138.96 48.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.608 HD22 ' CE3' ' A' ' 41' ' ' TRP . 29.8 tp -120.6 100.2 6.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.84 142.21 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.899 HG21 ' OD2' ' A' ' 74' ' ' ASP . 41.0 mt -126.84 90.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -57.1 129.61 42.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.24 74.41 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.9 99.98 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.0 m -90.95 167.43 12.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.594 ' HA ' HG13 ' A' ' 93' ' ' VAL . 22.9 mt -41.98 -34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' ASP . 15.0 ttpt -66.53 -53.4 35.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.899 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.1 t70 -34.26 -46.62 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.976 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -46.59 117.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.91 37.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.54 99.11 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -88.11 115.41 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 100.0 m -106.52 103.9 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.58 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.8 t -80.97 89.64 5.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.27 110.64 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.79 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.5 p -91.2 -179.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.79 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -28.8 -67.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.01 -42.9 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.484 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -74.95 177.74 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.12 128.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.5 t -108.79 161.38 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.5 m -138.55 134.06 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.56 -176.88 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.0 t -141.92 129.25 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.524 ' O ' ' HB1' ' A' ' 75' ' ' ALA . 15.3 tp -94.21 138.82 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.627 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 67.3 m-70 -118.47 145.29 45.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.976 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -155.61 131.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 37.3 mt-10 -145.35 140.88 28.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 22' ' ' PRO . 10.0 tm-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.575 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.792 0.33 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.02 -179.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.702 HD11 ' HB ' ' A' ' 82' ' ' VAL . 41.3 mt -107.84 113.49 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.531 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.38 -36.63 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -108.5 96.81 20.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.526 0.679 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 155.0 67.37 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 18.0 mt -60.82 167.79 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -133.98 154.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.59 139.86 58.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -118.77 141.29 48.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 -121.9 103.5 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.44 HG11 HG22 ' A' ' 26' ' ' VAL . 20.9 m -130.38 -178.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.36 164.45 14.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.724 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.3 Cg_endo -69.77 92.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.33 -8.87 3.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -91.71 171.59 9.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -100.08 149.41 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG11 ' A' ' 20' ' ' VAL . 73.0 t -125.0 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.95 106.13 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.655 HD12 HD23 ' A' ' 65' ' ' LEU . 4.8 mt -98.01 101.37 12.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -94.66 162.81 13.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.6 p -153.07 179.23 8.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.89 141.01 47.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -127.72 142.21 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -60.13 -13.95 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 35' ' ' ALA . 20.8 ttm180 -159.14 147.41 17.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG13 ' CD1' ' A' ' 41' ' ' TRP . 5.8 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.888 0.375 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -105.94 100.64 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.665 ' CE3' HD22 ' A' ' 65' ' ' LEU . 97.9 m95 -81.19 111.14 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.6 mt -113.53 127.51 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB2' HD11 ' A' ' 48' ' ' ILE . 12.9 tptm -107.3 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.06 48.0 18.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 66.88 42.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -144.77 107.06 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -49.47 127.85 16.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 41' ' ' TRP . 43.5 mt -92.01 146.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -116.38 120.35 38.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.47 130.72 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.8 t -170.88 170.93 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' SER . 39.2 tp60 -37.34 -42.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.75 -66.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.48 ' HB3' HD11 ' A' ' 65' ' ' LEU . 33.1 m-85 -97.34 101.13 12.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.46 104.25 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 t -82.32 108.17 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.437 HG22 ' C ' ' A' ' 34' ' ' ARG . 32.3 p . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.798 0.333 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -144.52 119.19 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.711 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -111.96 107.4 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 48.4 ttp -108.84 153.91 22.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.665 HD22 ' CE3' ' A' ' 41' ' ' TRP . 20.3 tp -138.41 109.67 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.8 125.92 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.29 77.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.25 134.86 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.18 82.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 100.71 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.3 m -80.66 157.88 25.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -38.69 -37.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -63.24 -42.7 99.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -46.15 -40.88 11.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.47 116.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.92 -171.84 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.61 142.19 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -121.43 105.24 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.4 m -96.5 111.52 23.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.75 87.4 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.49 121.15 16.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.775 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.9 p -109.77 178.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.775 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.52 -71.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.66 -31.83 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.674 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.9 m -78.9 -174.51 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -159.37 162.85 35.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -151.01 142.36 23.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -131.37 156.09 46.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -147.41 -176.63 5.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -144.27 111.84 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.9 tp -91.65 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -118.89 137.86 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.6 t -140.12 109.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.439 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 11.0 mt-10 -125.36 140.2 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' HA ' ' CD ' ' A' ' 22' ' ' PRO . 2.9 tm-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.453 ' CA ' ' HG2' ' A' ' 34' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -36.76 154.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mt -93.16 111.53 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -86.6 -36.09 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 35.2 mttp -106.99 95.84 13.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 28' ' ' LEU . 5.9 mt -63.98 177.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -147.32 149.56 33.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 5.8 m-20 -53.74 126.8 23.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -104.29 131.8 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -108.68 102.08 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.778 HG11 HG22 ' A' ' 26' ' ' VAL . 18.9 m -128.91 -175.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.734 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -111.61 165.19 13.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.734 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 52.9 Cg_endo -69.83 92.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.286 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.66 -13.39 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.6 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -102.42 130.22 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.778 HG22 HG11 ' A' ' 20' ' ' VAL . 56.0 t -103.11 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -129.97 118.41 21.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.6 mt -110.68 90.63 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -82.08 161.06 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.8 p -149.64 -175.16 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -143.63 140.34 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.32 144.73 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -55.5 -27.49 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HG2' ' CA ' ' A' ' 9' ' ' ALA . 15.0 ptt180 -147.21 158.12 43.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.477 HG22 ' H ' ' A' ' 40' ' ' HIS . 5.5 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.878 0.371 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.477 ' H ' HG22 ' A' ' 39' ' ' VAL . 4.1 t-160 -133.56 116.82 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.561 ' HB3' HD12 ' A' ' 48' ' ' ILE . 90.1 m95 -98.89 114.75 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 47' ' ' ALA . 7.0 mt -114.78 119.41 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB2' HD11 ' A' ' 48' ' ' ILE . 15.4 tttt -108.33 102.62 11.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 63.05 53.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.23 45.93 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -147.35 117.69 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -60.47 129.0 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 41' ' ' TRP . 43.6 mt -93.28 144.23 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -119.14 116.41 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -38.74 137.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 52' ' ' GLN . 54.5 p -169.88 166.01 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.4 tp-100 -35.08 -38.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -72.01 -68.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.493 ' HB3' HD11 ' A' ' 65' ' ' LEU . 48.2 m-85 -87.99 119.85 28.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -110.23 109.37 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.42 99.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 35' ' ' ALA . 14.1 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.802 0.335 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.4 ttp -153.13 119.6 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.628 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -114.61 116.64 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.1 ttp -115.61 146.26 41.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.501 HD22 ' CE3' ' A' ' 41' ' ' TRP . 18.9 tp -128.78 103.86 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 t -81.18 134.05 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 67' ' ' ILE . 19.4 mt -118.49 76.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLY . 16.4 mmm180 -44.97 140.25 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 37.73 77.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 100.47 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -80.95 159.68 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.538 HD23 HG22 ' A' ' 93' ' ' VAL . 37.3 mt -40.11 -35.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -66.67 -46.7 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.402 ' OD2' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -39.23 -36.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.911 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -51.51 123.36 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.5 -167.51 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -104.64 130.46 52.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.95 108.31 17.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 m -93.96 110.07 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.93 95.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -88.13 124.51 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.668 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -126.81 -174.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.668 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.74 -72.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.6 -26.25 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.465 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -78.66 167.28 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -155.58 140.65 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 t -127.29 153.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 m -141.65 146.41 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -151.75 178.79 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 52.7 p -141.58 120.71 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 75' ' ' ALA . 11.8 tp -84.07 138.08 33.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.501 ' CD2' ' HB3' ' A' ' 17' ' ' ASP . 85.4 m-70 -119.29 133.47 55.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.911 HG12 ' HB2' ' A' ' 75' ' ' ALA . 1.2 p -140.96 136.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -153.71 138.65 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.693 ' HB2' ' HG2' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.813 0.339 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.7 158.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.787 HD11 ' HB ' ' A' ' 82' ' ' VAL . 28.6 mt -96.21 118.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.467 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -93.36 -37.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 45.0 mttm -104.91 94.75 7.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 2.288 . . . . 0.0 112.365 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 80' ' ' CYS . 5.0 mt -66.5 -179.48 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -145.16 179.95 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.42 128.77 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -106.54 139.24 41.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.536 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 7.9 m-90 -123.53 105.59 9.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.92 -175.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -103.68 159.01 30.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.721 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.2 Cg_endo -69.72 86.72 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.66 -12.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.36 170.72 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -97.01 150.5 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.499 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 92.8 t -125.13 141.88 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -129.44 127.41 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 65' ' ' LEU . 6.3 mt -117.86 104.85 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -100.38 149.27 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.8 p -134.27 -175.2 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.1 tp10 -137.6 134.27 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -121.17 133.33 55.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -46.8 -36.43 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.693 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 4.6 ptt180 -139.43 146.47 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.3 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.894 0.378 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 2.7 t-160 -120.95 109.94 15.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.813 ' CE3' HD22 ' A' ' 65' ' ' LEU . 96.3 m95 -91.06 112.61 24.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mt -116.69 114.13 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.634 ' HB2' HD11 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -103.68 105.82 16.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 58.81 50.31 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 60.48 42.12 14.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -146.24 114.31 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.79 132.37 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.809 HD12 ' HB3' ' A' ' 41' ' ' TRP . 45.1 mt -93.62 138.24 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -112.91 116.0 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -42.37 115.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -149.85 172.8 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -45.97 -24.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -84.77 -55.68 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.404 ' HB3' HD11 ' A' ' 65' ' ' LEU . 49.1 m-85 -103.19 104.04 14.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -96.08 106.78 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 t -86.39 115.02 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 35' ' ' ALA . 45.2 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.753 0.311 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -139.74 105.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.502 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -101.94 103.51 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 47.5 ttp -102.6 148.75 25.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.813 HD22 ' CE3' ' A' ' 41' ' ' TRP . 17.6 tp -134.37 104.08 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.35 136.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.45 HD12 ' HB ' ' A' ' 26' ' ' VAL . 22.7 mt -119.96 77.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -52.48 134.66 34.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.16 81.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 100.87 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ASP . 2.9 p -84.85 159.99 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.741 HD23 HG22 ' A' ' 93' ' ' VAL . 67.1 mt -39.52 -34.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.426 ' CG ' ' N ' ' A' ' 74' ' ' ASP . 19.2 pttt -69.85 -43.15 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.1 m-20 -42.56 -32.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.937 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -55.42 119.36 5.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.36 -171.52 34.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -95.76 126.49 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.95 105.26 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.2 m -99.53 112.43 24.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 35.0 t -90.72 91.01 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 40' ' ' HIS . 3.9 tt0 -79.76 118.39 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.787 ' HB ' HD11 ' A' ' 11' ' ' ILE . 2.9 p -112.43 179.13 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.783 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.53 -72.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -34.01 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.681 ' C ' HG12 ' A' ' 82' ' ' VAL . 3.5 m -80.68 -174.66 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.5 ttpt -175.69 149.44 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 22.8 t -123.44 162.03 23.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -144.58 130.66 19.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -132.99 -178.71 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.9 m -148.68 107.63 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 92' ' ' HIS . 27.4 tp -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.619 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.3 m-70 -127.71 141.13 51.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.937 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -147.8 132.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -143.69 131.61 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.409 ' CB ' ' HG3' ' A' ' 22' ' ' PRO . 4.6 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.775 0.321 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.55 174.79 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.504 HG12 HD23 ' A' ' 32' ' ' LEU . 23.5 mt -102.93 133.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -106.7 -35.44 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 32.9 mttm -110.83 97.35 33.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 155.53 65.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 13.3 mt -62.67 -176.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -152.18 141.39 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -46.28 133.43 9.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -112.38 142.47 44.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -122.71 97.96 5.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 26' ' ' VAL . 18.0 m -122.65 -176.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -108.28 162.44 19.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.71 89.45 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.12 -12.02 2.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.89 179.14 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.44 127.74 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.486 ' CG2' HG21 ' A' ' 20' ' ' VAL . 53.5 t -97.82 139.63 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -129.7 120.02 24.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 15' ' ' LEU . 12.6 mt -111.88 88.91 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG2' ' CG ' ' A' ' 64' ' ' MET . 45.5 mtt180 -86.35 151.77 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -145.2 -176.57 5.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 11' ' ' ILE . 24.3 tt0 -132.47 140.97 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HG12 ' A' ' 11' ' ' ILE . 1.8 mt -126.94 135.54 51.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -54.05 -24.02 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' C ' HG22 ' A' ' 61' ' ' THR . 27.4 ttt180 -136.7 135.09 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.741 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 40' ' ' HIS . 7.8 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.475 ' N ' HG22 ' A' ' 39' ' ' VAL . 4.6 t-160 -116.98 103.09 9.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.663 ' HB3' HD12 ' A' ' 48' ' ' ILE . 95.9 m95 -86.22 105.16 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mt -104.88 122.77 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.577 ' HB2' HD11 ' A' ' 48' ' ' ILE . 16.2 tttm -107.11 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 65.35 47.89 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 66.92 31.41 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -137.75 114.02 10.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.41 121.4 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' A' ' 41' ' ' TRP . 53.0 mt -81.84 143.68 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -109.17 133.16 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' HG3' HG23 ' A' ' 56' ' ' VAL . 32.8 ttpt -56.92 118.02 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 52' ' ' GLN . 3.2 m -153.06 162.93 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' SER . 34.7 mm-40 -34.61 -42.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.01 -54.66 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.46 ' HB3' HD11 ' A' ' 65' ' ' LEU . 28.9 m-85 -103.98 105.04 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.83 113.17 25.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 50' ' ' LYS . 19.0 t -79.08 110.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.741 HG23 ' HB2' ' A' ' 35' ' ' ALA . 72.1 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -134.86 89.3 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.95 121.18 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.403 ' CG ' ' HG2' ' A' ' 29' ' ' ARG . 36.4 ttp -126.85 133.83 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD22 ' CE3' ' A' ' 41' ' ' TRP . 33.2 tp -113.48 105.1 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.28 141.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.932 HG21 ' OD2' ' A' ' 74' ' ' ASP . 34.7 mt -125.41 82.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.1 129.73 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 42.1 78.28 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.11 102.31 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -84.33 160.15 20.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 93' ' ' VAL . 20.8 mt -39.74 -33.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.15 -52.8 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.932 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.6 t70 -38.87 -31.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.968 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -54.42 118.4 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.54 -143.72 3.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -126.14 120.39 30.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.416 ' OH ' HD13 ' A' ' 67' ' ' ILE . 88.0 m-85 -103.69 112.26 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.932 HG23 ' O ' ' A' ' 87' ' ' SER . 45.2 m -108.27 107.85 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.565 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -84.4 86.14 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 8.6 tt0 -80.13 104.88 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.717 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.4 p -80.1 -178.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.717 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -30.06 -63.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.58 -42.47 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.435 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.5 t -77.01 178.94 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 25.9 pttt -168.54 147.19 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.932 ' O ' HG23 ' A' ' 79' ' ' THR . 37.7 t -116.14 -175.29 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.6 m -159.93 136.62 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -145.28 157.84 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 m -123.26 115.25 21.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 ' H ' ' A' ' 92' ' ' HIS . 15.9 tp -79.01 158.47 27.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.6 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.0 m-70 -140.97 130.0 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.968 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.19 133.42 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.413 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 56.1 mt-10 -153.42 136.62 15.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.886 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.808 0.337 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HA ' HG11 ' A' ' 82' ' ' VAL . . . -71.52 171.13 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.1 mt -93.29 111.83 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.27 -36.5 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 53.6 mttm -108.84 98.77 31.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.78 161.9 44.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.526 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 5.8 mt -70.57 174.72 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.31 140.69 32.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -46.18 129.95 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -107.15 144.83 33.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.578 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 9.0 m-90 -126.92 97.63 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.68 -175.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.4 161.47 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.73 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.55 -12.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.44 172.66 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.55 136.0 43.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -105.59 142.67 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -131.5 110.08 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD12 HD23 ' A' ' 65' ' ' LEU . 14.5 mt -101.23 98.52 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -94.44 154.51 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.607 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -142.96 -177.83 5.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 2.8 tp10 -133.76 141.25 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' C ' HD11 ' A' ' 12' ' ' ILE . 3.2 mt -128.81 138.6 52.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -63.73 -7.09 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 19.0 ttm180 -154.26 139.35 17.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 8.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.862 0.363 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.39 103.89 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.773 ' CE3' HD22 ' A' ' 65' ' ' LEU . 98.8 m95 -84.82 108.17 17.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.49 119.05 37.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.612 ' HB2' HD11 ' A' ' 48' ' ' ILE . 41.7 tttm -104.51 105.7 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.3 48.82 18.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 65.34 44.89 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -151.8 114.87 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.16 129.38 31.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.739 HD12 ' HB3' ' A' ' 41' ' ' TRP . 53.5 mt -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' N ' HG22 ' A' ' 48' ' ' ILE . 12.6 ptt180 -118.5 140.4 49.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -69.32 123.0 20.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -165.85 171.99 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -42.6 -37.3 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HE2' HG23 ' A' ' 67' ' ' ILE . 15.6 tptm -69.69 -54.15 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 55.2 m-85 -112.99 98.16 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.2 116.62 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.6 t -94.0 103.35 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 35' ' ' ALA . 30.1 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.789 0.328 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 62' ' ' MET . 10.6 tmm? -145.52 109.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.607 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.51 108.51 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.3 ttp -108.94 138.13 45.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.773 HD22 ' CE3' ' A' ' 41' ' ' TRP . 18.6 tp -122.94 100.3 6.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.84 134.85 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.505 HG23 ' HE2' ' A' ' 53' ' ' LYS . 18.8 mt -119.77 78.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -44.88 135.77 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.41 82.28 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.45 100.19 12.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.628 HD23 HG12 ' A' ' 93' ' ' VAL . 27.6 mt -54.22 -35.18 62.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.04 -44.71 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -35.07 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -50.05 121.34 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.18 -159.98 11.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -116.03 116.78 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -101.81 119.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 87' ' ' SER . 22.4 m -107.49 105.26 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 8.7 t -81.35 95.28 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 4.4 tt0 -92.51 124.51 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.731 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -104.6 -174.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.731 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -29.3 -70.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 -28.95 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 t -86.55 178.58 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 4.0 ptpp? -175.35 147.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 79' ' ' THR . 18.4 t -125.33 169.18 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.9 m -143.29 142.66 31.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -144.89 -178.4 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -142.12 129.73 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 75' ' ' ALA . 8.0 tp -95.99 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 81.7 m-70 -123.4 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 72' ' ' LEU . 76.1 t -142.25 123.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -139.05 135.6 34.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.551 ' HB3' ' HG3' ' A' ' 83' ' ' GLU . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.802 0.334 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.07 170.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' GLU . 30.7 mt -102.15 114.76 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.48 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.35 -35.66 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttm -112.26 97.94 41.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.77 165.69 30.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 28' ' ' LEU . 3.2 mt -70.94 179.77 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -145.44 147.05 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -53.17 131.76 37.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -111.8 137.98 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -116.15 96.61 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 26' ' ' VAL . 17.2 m -120.47 -176.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.778 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -113.38 166.55 10.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.778 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.8 92.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.19 -15.45 3.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.38 172.29 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.25 135.86 43.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG22 HG11 ' A' ' 20' ' ' VAL . 51.8 t -104.18 136.07 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -125.68 113.56 17.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HB3' HD22 ' A' ' 15' ' ' LEU . 16.3 mt -109.88 100.84 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -93.65 162.24 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -156.02 -175.14 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.9 tt0 -135.1 156.77 48.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 31' ' ' GLU . 1.7 mt -142.19 137.8 31.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -63.82 -7.41 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.529 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 2.4 tpm_? -141.96 140.14 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.898 0.38 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -120.92 108.2 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.62 ' CB ' HD12 ' A' ' 48' ' ' ILE . 80.5 m95 -86.47 119.48 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.64 116.46 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 109.15 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.49 39.38 25.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 69.95 43.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -143.72 121.14 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.85 123.73 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 41' ' ' TRP . 27.4 mt -88.06 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -119.75 136.86 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -64.82 109.75 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' LYS . 5.9 p -146.14 163.98 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' SER . 3.0 mp0 -36.22 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -81.33 -51.28 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -107.37 114.76 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -104.49 125.94 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.7 105.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 35' ' ' ALA . 30.0 p . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.797 0.332 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.414 ' CE ' ' HB2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -140.72 119.14 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.63 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -115.41 128.61 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.414 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 60.5 ttp -126.8 159.57 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD22 ' CE3' ' A' ' 41' ' ' TRP . 12.1 tp -140.04 119.7 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 t -100.28 125.5 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 67' ' ' ILE . 18.7 mt -109.93 76.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 mmm-85 -45.3 133.33 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.81 81.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HA ' ' CG ' ' A' ' 74' ' ' ASP . . . -92.38 100.95 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.9 m -90.27 176.55 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.21 -30.54 11.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -69.61 -46.37 66.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -43.68 -37.47 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 121.64 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.05 -168.62 37.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' OE2' HG21 ' A' ' 88' ' ' THR . 5.4 tt0 -100.44 129.03 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -110.79 102.83 11.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -93.65 111.84 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.19 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.2 95.91 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.05 123.27 30.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.675 HG22 ' OE2' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -121.01 -174.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.675 ' OE2' HG22 ' A' ' 82' ' ' VAL . 1.4 mm-40 -32.16 -72.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.75 -25.39 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.4 174.95 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -163.74 145.0 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.9 t -133.48 166.94 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.47 HG21 ' OE2' ' A' ' 77' ' ' GLU . 5.1 m -153.3 156.17 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.99 168.86 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.4 m -126.8 120.52 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.2 tp -90.99 140.26 30.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.9 148.41 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.3 t -150.95 113.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -129.74 134.78 47.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.773 0.32 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.5 174.18 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.13 113.3 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.525 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -86.76 -36.8 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttp -107.6 97.65 20.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.77 155.57 65.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 4.8 mt -65.05 177.91 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -141.85 148.16 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.68 141.68 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -117.5 145.74 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -129.61 99.35 5.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 m -127.94 -175.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.02 161.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.79 87.95 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.2 -12.4 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -92.35 179.62 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -106.23 149.81 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.29 140.06 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -129.79 114.44 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.9 mt -107.43 94.11 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.1 mtt85 -86.55 163.21 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -154.55 -176.82 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -136.28 155.02 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.4 mt -138.42 138.61 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.5 t -61.26 -19.84 62.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.515 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 28.0 ttp180 -139.41 138.74 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.812 0.339 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -110.76 106.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.756 ' CE3' HD22 ' A' ' 65' ' ' LEU . 95.5 m95 -86.03 104.0 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 46' ' ' LYS . 7.7 mt -106.89 121.85 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.87 ' HB2' HD11 ' A' ' 48' ' ' ILE . 38.5 tttm -107.32 111.42 23.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t70 60.82 45.91 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.48 25.89 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.707 ' O ' HD23 ' A' ' 42' ' ' LEU . 7.3 mmpt? -115.82 177.79 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.2 115.55 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.87 HD11 ' HB2' ' A' ' 43' ' ' LYS . 44.3 mt -87.73 136.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 128.66 55.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -46.64 136.3 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 4.3 t -173.65 160.89 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.0 pt20 -35.71 -42.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.53 -52.18 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' HB3' HD11 ' A' ' 65' ' ' LEU . 47.7 m-85 -106.77 86.95 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.2 106.24 7.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.07 107.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.478 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 35' ' ' ALA . 71.7 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.8 ttp -147.83 104.97 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.58 137.17 37.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.478 ' HB3' HG13 ' A' ' 57' ' ' VAL . 27.6 ttp -135.3 147.79 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.756 HD22 ' CE3' ' A' ' 41' ' ' TRP . 14.9 tp -131.7 107.33 8.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.0 t -81.52 145.59 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 67' ' ' ILE . 18.4 mt -128.48 76.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -45.94 134.9 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.17 81.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.73 100.6 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 m -87.89 173.92 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.536 HD23 HG12 ' A' ' 93' ' ' VAL . 28.3 mt -50.22 -35.59 27.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -70.19 -42.39 72.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -40.05 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.615 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -45.61 132.6 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.99 -174.87 43.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -98.64 116.77 31.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.92 114.37 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 87' ' ' SER . 55.5 m -108.03 106.85 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -82.06 78.94 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.488 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 12.6 tt0 -72.81 109.91 6.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.719 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.1 p -87.69 -176.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.719 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -31.45 -59.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.86 -38.73 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.418 ' C ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -81.17 177.02 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 6.1 pttt -165.48 146.11 7.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.856 ' O ' HG23 ' A' ' 79' ' ' THR . 43.8 t -111.63 -177.81 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -160.09 128.66 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -133.01 170.32 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -135.09 107.44 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 75' ' ' ALA . 13.6 tp -80.38 147.38 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.526 ' H ' HD12 ' A' ' 91' ' ' LEU . 97.2 m-70 -130.44 136.72 49.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.536 HG12 HD23 ' A' ' 72' ' ' LEU . 93.5 t -138.67 122.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.417 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 33.1 mt-10 -142.71 148.79 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.727 0.298 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.22 170.09 12.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -95.64 126.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.579 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.51 -36.89 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 28.9 mtpt -109.54 104.33 55.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.76 156.4 63.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.337 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 80' ' ' CYS . 5.4 mt -67.55 172.31 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.54 143.35 35.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.81 135.59 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -107.69 140.62 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -121.95 96.55 5.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 HG22 ' A' ' 26' ' ' VAL . 10.3 m -126.33 -174.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.41 161.63 22.43 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.579 0.704 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.75 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.55 -9.27 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -90.72 176.8 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.66 135.61 46.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG22 HG11 ' A' ' 20' ' ' VAL . 60.8 t -109.92 135.71 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -127.55 103.84 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.22 104.02 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -98.2 155.94 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -143.6 -175.76 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -135.22 138.68 43.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.8 mt -122.29 141.29 51.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.9 t -68.66 -12.51 61.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.8 123.01 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.647 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG21 ' SG ' ' A' ' 80' ' ' CYS . 3.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.882 0.373 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.5 101.02 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.933 ' CE3' HD22 ' A' ' 65' ' ' LEU . 96.4 m95 -82.61 108.41 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 mt -110.82 121.82 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 48' ' ' ILE . 9.0 tttp -110.7 91.68 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 73.71 49.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 61.55 41.17 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -145.69 116.28 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.95 120.95 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 43' ' ' LYS . 63.8 mt -80.64 140.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -107.93 114.65 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -43.27 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -150.84 168.34 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 16.2 pt20 -36.07 -43.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -55.88 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' HB3' HD11 ' A' ' 65' ' ' LEU . 33.8 m-85 -106.68 108.39 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -99.68 101.09 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.69 101.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.647 HG23 ' HB2' ' A' ' 35' ' ' ALA . 71.7 p . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.5 ttp -144.4 105.4 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.42 117.43 34.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.2 ttp -113.33 134.06 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.933 HD22 ' CE3' ' A' ' 41' ' ' TRP . 38.7 tp -116.87 102.62 9.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -78.91 142.68 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.4 mt -127.58 80.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -48.36 137.12 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.37 82.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' PRO . . . -89.91 99.98 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 m -85.66 174.94 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 93' ' ' VAL . 7.5 mt -53.04 -29.71 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HE3' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -71.02 -40.3 71.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.54 -35.55 53.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.38 115.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.64 -165.61 25.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.2 138.94 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -120.22 107.2 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 84.8 m -101.13 109.43 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.432 ' SG ' HG21 ' A' ' 39' ' ' VAL . 1.8 t -88.79 87.94 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -78.26 110.75 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.767 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.1 p -99.42 -179.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.767 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -33.17 -60.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.402 ' H ' ' CD ' ' A' ' 83' ' ' GLU . . . -125.15 -42.05 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.1 m -75.57 -178.8 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.7 ttpp -175.22 144.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -117.23 179.01 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.0 m -163.02 128.86 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.48 -177.75 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.0 m -144.87 118.35 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 92' ' ' HIS . 13.8 tp -80.51 144.81 32.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.419 ' H ' HD12 ' A' ' 91' ' ' LEU . 83.7 m-70 -127.27 124.55 39.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.415 ' O ' HD23 ' A' ' 72' ' ' LEU . 92.7 t -125.41 114.12 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.79 130.93 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.733 ' HB2' ' HE ' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.806 0.336 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.04 170.64 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.496 HD11 ' HB ' ' A' ' 82' ' ' VAL . 24.5 mt -97.85 121.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.524 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.89 -36.54 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 48.1 mttm -108.94 98.25 28.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.942 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_endo -69.74 158.25 57.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 28' ' ' LEU . 15.9 mt -64.14 176.26 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 28.3 mp0 -140.09 141.09 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -51.27 118.03 2.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -92.57 144.21 25.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -126.73 108.36 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.407 HG11 HG22 ' A' ' 26' ' ' VAL . 13.4 m -137.71 -175.99 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.709 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.29 164.04 15.66 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.099 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.76 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.66 -7.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -96.96 171.83 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -95.87 165.27 12.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.495 ' HB ' HD12 ' A' ' 67' ' ' ILE . 95.1 t -139.34 146.01 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.65 117.83 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.9 mt -111.66 98.3 7.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -92.56 148.79 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -137.8 -177.61 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -136.75 151.37 49.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' C ' HD11 ' A' ' 12' ' ' ILE . 5.2 mt -135.09 140.85 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -59.27 -24.99 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.733 ' HE ' ' HB2' ' A' ' 9' ' ' ALA . 2.6 tmm_? -148.2 141.44 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.489 HG11 ' HE1' ' A' ' 41' ' ' TRP . 4.2 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.848 0.356 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 1.8 t-160 -121.18 101.24 7.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.786 ' HB3' HD12 ' A' ' 48' ' ' ILE . 99.0 m95 -88.38 103.9 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.34 130.34 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -113.68 105.72 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.36 45.38 20.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 69.11 44.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -147.72 127.14 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 111.66 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.786 HD12 ' HB3' ' A' ' 41' ' ' TRP . 78.8 mt -71.43 145.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 mtt85 -120.47 126.26 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.58 112.44 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 8.6 t -150.19 167.74 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 42.3 tt0 -35.35 -35.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -76.31 -56.54 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -101.21 110.75 22.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.49 96.51 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 p -89.77 120.05 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.49 HG23 ' HB2' ' A' ' 35' ' ' ALA . 72.5 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.403 ' O ' ' SD ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -153.16 112.18 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -113.97 143.96 43.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.0 ttp -140.08 158.21 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD22 ' CE3' ' A' ' 41' ' ' TRP . 8.1 tp -140.08 113.04 8.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.89 147.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' HB ' ' A' ' 26' ' ' VAL . 17.2 mt -129.87 88.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -61.07 136.39 58.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.42 77.7 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HA ' ' CG ' ' A' ' 74' ' ' ASP . . . -88.71 101.32 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.9 m -94.91 173.5 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -46.05 -31.67 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -71.58 -52.91 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.403 ' CG ' ' HA ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -38.18 -34.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -56.4 117.92 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -166.67 26.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -98.67 127.06 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -110.51 102.75 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.1 m -89.28 111.01 21.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -90.73 83.22 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 40' ' ' HIS . 5.7 tm-20 -75.17 140.69 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.7 p -133.57 179.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.744 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -32.95 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.31 -40.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.725 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.4 m -76.98 -176.98 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.9 ttpt -175.97 148.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.463 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 8.7 t -123.39 158.83 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.5 m -146.57 127.75 14.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.52 -177.58 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 m -145.66 106.51 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 75' ' ' ALA . 21.4 tp -71.77 145.2 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.73 126.54 43.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.419 HG13 ' C ' ' A' ' 21' ' ' ALA . 88.7 t -130.27 114.09 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -128.98 142.3 50.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.339 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.49 169.45 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -98.42 126.62 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -101.24 -36.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 78.9 mttt -105.75 96.42 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.78 157.16 61.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.7 mt -66.57 176.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -142.47 154.19 44.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -60.47 127.69 32.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -102.24 150.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -131.71 95.86 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.447 HG21 ' CG2' ' A' ' 26' ' ' VAL . 23.1 m -125.81 -174.89 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.769 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -109.42 165.88 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.769 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.7 91.13 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.9 -4.89 3.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -91.42 168.86 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -103.77 118.06 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' HB ' HD12 ' A' ' 67' ' ' ILE . 90.2 t -93.3 141.23 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.05 111.3 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.746 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.3 mt -103.62 107.61 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -97.16 150.75 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.982 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 27.7 p -137.18 -177.63 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.8 tp10 -138.52 142.21 39.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -127.83 136.12 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -60.05 -12.76 8.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -155.39 139.65 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.559 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 3.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.861 0.362 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.935 ' CE3' HD22 ' A' ' 65' ' ' LEU . 91.5 m95 -85.11 115.87 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.4 mt -117.92 144.13 45.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 48' ' ' ILE . 13.6 tttm -122.33 87.37 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 74.93 43.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 74.69 25.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -119.97 137.19 54.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -73.03 115.93 12.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' C ' ' A' ' 41' ' ' TRP . 39.3 mt -89.43 144.26 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -122.77 136.46 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -55.53 131.58 46.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 p -159.17 -176.95 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -58.84 -17.03 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.61 -51.58 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.453 ' HB3' HD11 ' A' ' 65' ' ' LEU . 49.0 m-85 -105.13 96.28 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.42 114.21 23.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -93.76 101.69 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.591 HG23 ' HB2' ' A' ' 35' ' ' ALA . 45.9 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -145.29 106.55 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.982 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -103.66 105.58 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 41.4 ttp -104.49 150.92 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.935 HD22 ' CE3' ' A' ' 41' ' ' TRP . 47.6 tp -132.66 99.1 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 t -80.15 126.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.461 HD12 ' HB ' ' A' ' 26' ' ' VAL . 17.9 mt -109.36 79.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' GLY . 11.7 mmt180 -46.96 139.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 35.25 80.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.46 101.01 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.94 164.78 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.541 HD23 HG22 ' A' ' 93' ' ' VAL . 11.2 mt -47.02 -25.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -76.29 -42.18 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.61 -32.6 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.018 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -51.21 122.34 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.09 -162.08 24.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -105.51 123.29 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -103.23 102.08 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.435 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 51.6 m -97.25 111.73 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.91 90.91 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -82.27 116.99 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.802 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.6 p -108.3 -174.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.802 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -30.31 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.45 -30.24 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.487 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.3 t -82.61 -177.67 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.8 ttpp -176.11 147.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -124.23 166.02 16.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.6 m -146.32 138.38 25.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -141.62 -177.26 5.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 111.31 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.42 132.27 37.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.28 132.37 56.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.018 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.64 135.06 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -145.16 131.84 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.721 ' HB3' ' CD ' ' A' ' 83' ' ' GLU . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.799 0.333 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.39 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 31' ' ' GLU . 31.3 mt -95.42 111.07 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -83.76 -37.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 49.4 mttt -107.66 93.23 9.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 28' ' ' LEU . 3.8 mt -60.49 175.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -144.12 145.07 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.48 123.36 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -101.04 147.54 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.4 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 9.9 m-90 -128.87 98.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.624 HG11 HG22 ' A' ' 26' ' ' VAL . 20.2 m -124.34 -177.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.75 163.08 17.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 111.091 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.4 Cg_endo -69.78 90.58 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.98 -12.79 3.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.38 172.54 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.85 146.25 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.624 HG22 HG11 ' A' ' 20' ' ' VAL . 61.5 t -117.43 141.48 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -127.73 103.36 7.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.6 ' HB3' HD22 ' A' ' 15' ' ' LEU . 7.8 mt -93.11 91.93 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -92.29 154.28 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -148.65 -175.74 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.5 tp10 -129.48 154.27 47.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 31' ' ' GLU . 2.6 mt -141.22 137.71 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -57.36 -18.6 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -139.82 153.6 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' HG22 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.8 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.859 0.362 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -132.41 110.84 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.678 ' CE3' HD22 ' A' ' 65' ' ' LEU . 97.8 m95 -91.89 108.75 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.39 126.59 52.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.749 ' HB2' HD11 ' A' ' 48' ' ' ILE . 17.8 tptp -110.13 103.75 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 57.63 45.67 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 3.9 mmm180 68.99 43.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -150.68 116.64 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 122.33 10.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 43' ' ' LYS . 49.2 mt -86.18 143.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -107.64 138.79 43.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -63.0 138.97 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.1 p -174.69 166.38 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -41.92 -24.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' SER . 2.5 tppp? -84.62 -52.97 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -107.52 84.73 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.55 109.6 9.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -89.85 117.49 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.559 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 35' ' ' ALA . 7.6 p . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ttp -135.01 93.77 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.579 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -87.97 124.6 33.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.559 ' HB3' HG13 ' A' ' 57' ' ' VAL . 36.7 ttp -125.31 148.16 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.678 HD22 ' CE3' ' A' ' 41' ' ' TRP . 40.2 tp -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.66 138.55 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.463 ' O ' HG22 ' A' ' 67' ' ' ILE . 18.9 mt -123.17 74.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -47.17 133.14 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.61 80.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.1 99.86 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.4 m -90.93 170.38 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.875 HD23 HG12 ' A' ' 93' ' ' VAL . 38.8 mt -52.22 -19.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -81.16 -40.6 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.78 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.6 116.71 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.38 -165.87 27.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -98.43 131.74 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -114.43 100.55 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 38.9 m -92.07 109.99 21.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.463 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 7.1 t -88.61 91.95 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -83.75 123.04 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.704 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -112.33 -174.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.721 ' CD ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -32.47 -58.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -133.24 -33.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.453 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -79.41 178.79 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 11.7 ttpp -169.82 149.21 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -130.38 143.49 50.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.5 m -122.55 141.4 51.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.96 -176.74 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.9 m -146.3 123.11 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -89.66 136.9 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 96.5 m-70 -116.54 138.8 51.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.875 HG12 HD23 ' A' ' 72' ' ' LEU . 45.2 t -140.98 121.42 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.417 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 5.6 mm-40 -143.45 151.34 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.792 0.329 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 175.72 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' GLU . 15.1 mt -97.92 122.09 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.535 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -89.48 -35.28 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 17.5 mtpp -110.46 100.96 47.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.696 . . . . 0.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.9 Cg_endo -69.76 156.59 62.96 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 28' ' ' LEU . 48.9 mt -66.46 158.23 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -119.62 174.74 6.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -84.42 143.24 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' HD12 ' A' ' 91' ' ' LEU . 8.4 mp0 -125.26 131.52 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.478 ' NE1' ' CD2' ' A' ' 92' ' ' HIS . 29.9 m-90 -116.46 107.34 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -130.41 -175.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.639 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -103.18 161.93 21.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.7 87.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.22 -12.24 1.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -92.39 176.44 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -100.23 155.23 17.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.5 t -128.51 137.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -125.88 135.06 51.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.9 mt -130.22 97.77 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 13.7 mtp180 -88.61 152.72 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.1 p -139.44 -176.9 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.3 tt0 -140.47 146.56 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' C ' HD11 ' A' ' 12' ' ' ILE . 4.6 mt -130.11 131.47 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 42.3 t -54.26 -25.07 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -141.96 141.11 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.596 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.594 HG11 ' NE1' ' A' ' 41' ' ' TRP . 3.7 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.44 ' H ' HG22 ' A' ' 39' ' ' VAL . 2.2 t-160 -129.9 79.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.953 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.4 m95 -61.18 112.57 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mt -113.06 128.24 56.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -113.23 103.92 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.38 45.1 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 68.82 42.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -146.41 129.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 118.74 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.884 HD12 ' HB3' ' A' ' 41' ' ' TRP . 76.3 mt -78.93 144.58 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -106.68 164.79 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -105.42 112.31 25.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -158.81 -178.43 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -41.17 -36.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' NZ ' HG23 ' A' ' 67' ' ' ILE . 16.7 tptp -73.46 -62.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -103.01 107.95 18.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.03 98.75 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -89.42 117.08 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 57' ' ' VAL . 69.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 35' ' ' ALA . 68.5 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.742 0.306 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.513 ' CE ' ' C ' ' A' ' 63' ' ' ALA . 1.5 tpt -151.45 105.01 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.513 ' C ' ' CE ' ' A' ' 62' ' ' MET . . . -119.72 127.62 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.498 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 64.3 ttp -125.2 169.09 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.953 HD22 ' CE3' ' A' ' 41' ' ' TRP . 29.6 tp -143.76 108.83 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.86 138.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.45 HG23 ' NZ ' ' A' ' 53' ' ' LYS . 25.4 mt -122.51 95.95 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -63.58 133.7 54.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.08 78.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 101.88 12.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.8 m -88.76 171.97 9.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.489 HD23 HG12 ' A' ' 93' ' ' VAL . 45.0 mt -49.81 -38.82 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -70.37 -46.53 63.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -44.53 -33.7 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.95 117.55 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -158.36 -157.2 8.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.97 114.55 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -96.97 111.35 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 87' ' ' SER . 61.4 m -104.27 107.97 19.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.57 ' SG ' ' CE3' ' A' ' 41' ' ' TRP . 1.5 m -87.31 83.48 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.503 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 7.1 tt0 -75.99 121.0 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.745 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -102.06 -175.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.745 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.03 -68.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.76 -28.58 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.442 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.1 t -88.29 -177.96 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 11.7 pttp -174.67 142.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 79' ' ' THR . 42.0 t -110.93 170.16 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.4 m -152.2 133.34 14.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.74 170.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 m -133.92 106.32 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 92' ' ' HIS . 24.0 tp -77.43 150.45 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.71 ' H ' HD12 ' A' ' 91' ' ' LEU . 89.1 m-70 -133.01 137.29 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG12 HD23 ' A' ' 72' ' ' LEU . 80.9 t -137.43 117.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -137.36 142.63 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.757 0.313 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.757 ' HB1' ' OG ' ' A' ' 85' ' ' SER . . . -65.54 167.38 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.6 mt -93.76 116.44 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.549 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -84.96 -35.92 10.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 18.9 mtpt -107.92 101.63 41.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.79 156.56 62.97 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.67 -176.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -148.77 177.5 9.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.09 126.19 34.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -100.8 137.74 38.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.407 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 3.7 m-90 -119.71 97.6 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.91 -174.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.71 163.42 17.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.694 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.76 89.99 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -14.09 1.84 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -89.05 168.25 12.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -100.17 130.22 46.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -100.18 145.76 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.48 114.94 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.83 99.54 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -92.98 163.72 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.7 p -152.35 -175.83 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 11' ' ' ILE . 13.1 tt0 -136.75 150.4 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.2 mt -132.95 132.06 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.445 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 28.9 t -56.46 -17.74 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -154.3 141.48 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.501 HG11 ' NE1' ' A' ' 41' ' ' TRP . 2.8 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.351 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -122.41 96.38 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.673 ' HB3' HD12 ' A' ' 48' ' ' ILE . 94.7 m95 -79.26 116.31 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.7 mt -117.25 120.46 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HB2' HD11 ' A' ' 48' ' ' ILE . 20.6 tttp -102.61 92.52 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 71.65 49.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 62.29 38.74 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -144.21 119.89 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -53.69 126.33 21.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' A' ' 41' ' ' TRP . 57.5 mt -87.32 144.09 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.86 133.33 53.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.82 136.91 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -172.05 161.76 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.7 tt0 -38.24 -31.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -77.58 -54.11 6.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -105.5 85.4 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.98 114.72 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.42 112.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.552 HG23 ' HB2' ' A' ' 35' ' ' ALA . 81.5 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.745 0.307 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.2 ttp -143.72 105.16 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -94.23 134.88 36.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.534 ' HB3' HG13 ' A' ' 57' ' ' VAL . 34.1 ttp -131.34 150.5 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.551 HD22 ' CE3' ' A' ' 41' ' ' TRP . 41.1 tp -134.67 103.01 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.18 142.1 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 67' ' ' ILE . 18.0 mt -125.39 74.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -44.67 134.83 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.12 81.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.12 100.91 13.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -91.9 166.64 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.629 HD23 HG12 ' A' ' 93' ' ' VAL . 40.9 mt -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -69.12 -46.84 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.53 -43.14 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.9 130.16 9.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.66 -170.19 38.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -98.15 128.75 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -111.26 100.3 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -97.38 111.47 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -91.03 87.03 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -78.32 94.93 4.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -84.44 -178.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.794 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -26.83 -72.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -33.8 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.757 ' OG ' ' HB1' ' A' ' 10' ' ' ALA . 20.3 m -78.14 -179.99 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 87' ' ' SER . 8.6 ttpt -175.68 143.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.4 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 4.5 t -124.3 165.81 17.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 m -143.54 135.86 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.64 173.04 11.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.1 p -138.57 113.36 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' H ' ' A' ' 92' ' ' HIS . 23.4 tp -81.72 144.15 31.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.481 ' H ' HD12 ' A' ' 91' ' ' LEU . 81.5 m-70 -124.68 145.04 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 72' ' ' LEU . 55.5 t -144.35 121.72 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -136.96 137.34 39.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.802 0.334 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 85' ' ' SER . . . -57.94 171.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.4 mt -97.99 123.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.5 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -92.0 -35.77 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 3.0 mtpm? -109.63 102.4 49.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_endo -69.75 157.04 61.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 28' ' ' LEU . 80.5 mt -64.28 178.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -146.38 145.38 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.0 127.38 23.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -104.23 135.18 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 10.1 m-90 -121.94 103.08 8.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.44 HG11 HG22 ' A' ' 26' ' ' VAL . 9.3 m -129.0 -174.76 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.31 162.49 19.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.2 Cg_endo -69.74 88.26 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.58 -10.94 2.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -90.89 174.12 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.36 137.79 41.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG11 ' A' ' 20' ' ' VAL . 53.1 t -109.38 136.01 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -126.8 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB3' HD22 ' A' ' 15' ' ' LEU . 8.8 mt -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 27.2 mtm105 -97.16 146.05 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -135.19 -175.51 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -138.15 136.68 36.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.6 mt -121.42 134.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 14.9 t -56.39 -19.53 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.539 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 16.1 ttm180 -144.7 138.82 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.702 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.561 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 9.8 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -100.74 96.45 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.698 ' HB3' HD12 ' A' ' 48' ' ' ILE . 96.3 m95 -77.74 112.92 15.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.02 118.27 33.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.661 ' HB2' HD11 ' A' ' 48' ' ' ILE . 40.5 tttt -107.39 102.57 11.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 63.43 47.45 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 62.16 45.1 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -149.21 116.99 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.23 124.52 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.698 HD12 ' HB3' ' A' ' 41' ' ' TRP . 55.9 mt -87.61 138.47 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' N ' ' HD3' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -111.78 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -51.32 125.23 13.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 52' ' ' GLN . 59.5 p -161.13 171.54 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.4 tt0 -37.7 -43.06 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -67.78 -57.93 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.645 ' HB3' HD11 ' A' ' 65' ' ' LEU . 47.8 m-85 -100.13 117.2 33.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.26 95.24 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.53 107.25 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 35' ' ' ALA . 73.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.834 0.35 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 ttp -153.31 114.85 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -107.87 110.09 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.7 ttp -109.5 128.28 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 54' ' ' TYR . 29.6 tp -111.93 102.7 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.14 118.91 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.6 mt -104.6 79.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -46.71 140.66 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.72 82.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.14 100.12 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.0 m -89.09 168.71 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.1 mt -43.12 -42.36 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.42 -52.05 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.71 -37.7 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.96 119.95 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.44 -167.23 30.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -96.25 133.63 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -116.49 100.32 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.9 m -97.46 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.37 90.25 7.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.14 113.91 19.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.822 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -108.58 -177.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.822 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.2 -73.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.65 -34.0 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.789 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -81.88 176.48 9.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' A' ' 87' ' ' SER . 6.3 ttpt -175.59 147.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.488 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 19.4 t -122.39 174.58 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.4 m -155.35 132.62 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.82 170.4 15.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -133.95 122.69 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.597 HD12 ' H ' ' A' ' 92' ' ' HIS . 22.5 tp -85.16 146.66 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.597 ' H ' HD12 ' A' ' 91' ' ' LEU . 73.2 m-70 -128.54 133.39 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.35 118.29 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.59 132.77 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' CA ' ' HG2' ' A' ' 34' ' ' ARG . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.798 0.333 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.28 155.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' GLU . 11.7 mt -93.59 119.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.04 -36.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 46.2 mttm -107.37 95.96 14.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.7 158.82 55.7 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.6 mt -66.4 -177.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 42.9 mp0 -144.42 148.24 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -56.6 120.21 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.592 HE21 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -101.86 137.34 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 29.8 m-90 -120.08 104.07 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -127.94 -177.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -104.79 162.02 21.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.71 87.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.71 -11.32 1.7 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -91.69 170.4 9.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.811 0.338 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.3 143.56 26.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.41 135.49 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -129.57 120.45 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.592 HD23 HE21 ' A' ' 18' ' ' GLN . 5.6 mt -116.31 100.43 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -93.59 150.98 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -141.33 -175.09 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.8 tp10 -136.56 150.26 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 61' ' ' THR . 2.2 mt -133.64 143.99 48.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -57.21 -33.64 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.501 ' C ' HG22 ' A' ' 61' ' ' THR . 5.3 ptm180 -142.69 146.49 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 6.0 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.863 0.363 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.717 ' CE1' HD21 ' A' ' 42' ' ' LEU . 3.7 t-80 -112.03 105.01 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.676 ' CD2' HD22 ' A' ' 65' ' ' LEU . 84.5 m95 -85.84 115.67 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.717 HD21 ' CE1' ' A' ' 40' ' ' HIS . 6.3 mt -118.03 119.26 34.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -98.84 95.04 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.87 53.72 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 64.45 46.4 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -148.84 117.94 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -63.87 122.26 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 41' ' ' TRP . 52.8 mt -84.09 141.69 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -104.13 146.28 28.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 16.0 ttmt -84.03 124.45 31.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 53' ' ' LYS . 20.6 p -163.79 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -38.81 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -81.43 -63.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.41 ' CD2' ' HG3' ' A' ' 53' ' ' LYS . 83.7 m-85 -99.26 112.64 24.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -103.68 100.44 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -98.54 105.23 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.456 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' LEU . 73.3 p . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.792 0.329 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.1 ttp -134.82 95.6 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.69 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.01 124.3 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.456 ' HB3' HG13 ' A' ' 57' ' ' VAL . 59.7 ttp -128.81 149.49 50.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.676 HD22 ' CD2' ' A' ' 41' ' ' TRP . 18.9 tp -132.89 116.85 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.6 t -96.85 140.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.9 mt -125.4 86.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -50.03 135.02 21.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.89 82.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.24 100.63 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -81.96 167.18 19.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 HG12 ' A' ' 93' ' ' VAL . 37.5 mt -44.08 -38.74 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptp? -63.65 -50.13 70.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' LYS . 1.1 m-20 -36.28 -41.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.37 143.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.17 178.11 35.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.46 119.8 31.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.94 99.69 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -89.81 110.33 21.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.49 ' SG ' HG21 ' A' ' 39' ' ' VAL . 1.5 m -84.93 81.32 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.53 128.34 35.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.686 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -127.87 -174.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.686 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -32.21 -72.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.67 -27.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.605 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.4 m -80.69 172.27 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 85' ' ' SER . 26.3 mtmt -162.92 148.51 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 t -140.14 145.03 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -154.66 142.34 19.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -104.7 117.98 35.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.1 tp -90.97 133.66 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 55.9 m-70 -116.71 126.7 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.405 HG12 HD23 ' A' ' 72' ' ' LEU . 60.5 t -127.34 108.96 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -139.9 137.8 35.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.794 0.331 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.23 168.28 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 82' ' ' VAL . 31.7 mt -95.99 126.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -101.87 -35.57 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 98.0 mttt -110.34 98.36 35.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.81 156.4 63.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.7 mt -67.88 176.46 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -141.88 142.9 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -44.31 143.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.52 140.05 51.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.713 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 11.6 m-90 -126.15 99.53 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG11 HG22 ' A' ' 26' ' ' VAL . 19.2 m -127.94 -175.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.2 161.38 23.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.355 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -8.53 1.64 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -93.01 175.14 6.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -102.73 143.3 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG22 HG11 ' A' ' 20' ' ' VAL . 55.5 t -119.29 145.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -135.58 118.78 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.741 ' HB3' HD22 ' A' ' 15' ' ' LEU . 9.7 mt -111.4 95.8 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -90.31 152.52 21.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -140.82 -179.08 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tp10 -132.92 140.29 47.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.9 mt -126.39 140.5 52.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -64.44 -11.18 30.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -153.35 132.16 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.722 ' HB2' HG23 ' A' ' 61' ' ' THR . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.846 0.355 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -106.64 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.517 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 96.3 m95 -87.38 118.83 27.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 46' ' ' LYS . 6.3 mt -119.24 131.95 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.769 ' HB2' HD11 ' A' ' 48' ' ' ILE . 8.9 tttm -114.48 104.69 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 63.64 45.12 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 68.91 26.33 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.617 ' O ' HD23 ' A' ' 42' ' ' LEU . 9.2 ptpt -114.03 159.6 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.28 114.94 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.769 HD11 ' HB2' ' A' ' 43' ' ' LYS . 25.3 mt -90.78 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -124.5 131.61 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -50.76 119.22 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -150.3 169.89 20.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.654 ' HB3' HD11 ' A' ' 65' ' ' LEU . 41.1 m-85 -93.73 99.78 12.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 108.42 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.55 110.46 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.722 HG23 ' HB2' ' A' ' 35' ' ' ALA . 41.3 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.798 0.333 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.2 ttp -149.26 106.02 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.592 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -102.19 104.28 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.0 ttp -109.02 138.96 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 54' ' ' TYR . 15.6 tp -122.14 106.72 11.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.61 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 67' ' ' ILE . 16.6 mt -111.87 74.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -44.45 138.2 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.98 81.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.82 102.09 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.6 m -96.67 169.46 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.841 HD23 HG12 ' A' ' 93' ' ' VAL . 42.1 mt -40.01 -38.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -63.24 -54.88 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -40.14 -42.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.95 119.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.43 169.1 41.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.78 128.22 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.77 110.3 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.2 m -103.77 111.6 24.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.517 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -88.76 84.11 6.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.37 104.06 4.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.769 HG22 ' H ' ' A' ' 83' ' ' GLU . 3.2 p -93.98 177.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.769 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -29.2 -69.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.97 -38.83 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.693 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -77.72 -175.87 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 17.7 ttpt -176.27 142.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -114.92 168.35 9.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 m -152.75 124.5 7.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.204 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.12 158.33 44.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.9 t -118.09 132.8 56.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.67 138.85 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.713 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 37.4 m-70 -117.4 142.24 47.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.841 HG12 HD23 ' A' ' 72' ' ' LEU . 72.6 t -140.5 116.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -138.75 131.95 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -101.5 100.86 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.906 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -81.41 166.3 20.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.76 105.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -38.79 138.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -51.76 144.02 11.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.73 84.92 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.49 2.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . -123.3 23.32 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -57.71 166.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.497 HG12 HD23 ' A' ' 32' ' ' LEU . 74.0 mt -95.25 118.64 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -94.0 -36.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 97.4 mttt -106.33 96.03 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.73 157.29 60.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 28' ' ' LEU . 5.0 mt -66.99 -176.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 32.4 mt-10 -148.51 166.5 28.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -69.61 121.82 17.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.617 HE21 HD23 ' A' ' 28' ' ' LEU . 1.8 mp0 -103.73 142.46 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -122.48 107.05 11.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 m -132.12 -175.52 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.06 162.0 21.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 111.088 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.638 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.3 Cg_endo -69.71 85.2 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.89 -6.83 1.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -92.82 164.23 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -91.97 132.33 36.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.25 136.71 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.44 113.01 15.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.617 HD23 HE21 ' A' ' 18' ' ' GLN . 6.8 mt -105.62 98.91 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -91.48 163.45 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.663 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.7 p -152.52 -176.4 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.5 tp10 -137.46 138.51 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD23 HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -125.76 144.58 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -63.8 -9.17 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -157.56 152.33 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.44 173.98 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.18 46.78 90.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.604 HG23 ' HD2' ' A' ' 38' ' ' PRO . 85.8 m -126.68 138.23 32.07 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.105 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 37' ' ' THR . 53.9 Cg_endo -69.81 147.79 63.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.22 160.73 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -134.83 107.15 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CD2' HD22 ' A' ' 65' ' ' LEU . 99.1 m95 -87.91 112.45 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -109.63 116.8 32.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.93 ' HB2' HD11 ' A' ' 48' ' ' ILE . 1.8 tmtt? -111.59 113.52 25.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.442 ' CG ' ' HD3' ' A' ' 43' ' ' LYS . 85.1 m-20 63.61 41.08 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 63.8 31.54 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -129.62 136.91 50.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.03 124.03 24.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.93 HD11 ' HB2' ' A' ' 43' ' ' LYS . 24.1 mt -93.9 153.66 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -125.08 126.12 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -51.28 119.38 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 57.7 p -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.7 tp60 -35.73 -50.05 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.19 -62.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.524 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 48.0 m-85 -93.18 106.98 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -100.21 96.96 7.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.4 t -73.96 100.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t -99.65 91.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 32.6 t -90.56 94.49 9.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 60' ' ' GLY . 6.4 mm-40 -105.74 -174.99 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' THR . . . -37.24 104.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLY . 34.6 p 36.99 42.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -145.5 121.88 10.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.663 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -112.41 105.89 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.4 ttp -107.95 142.32 38.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.591 HD22 ' CD2' ' A' ' 41' ' ' TRP . 38.8 tp -126.05 109.48 12.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 t -87.4 121.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 67' ' ' ILE . 16.6 mt -106.78 74.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -43.16 135.93 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.96 82.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.62 101.97 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.0 m -84.13 169.6 14.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 mt -49.25 -28.42 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -75.17 -43.94 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' O ' ' CE ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -44.58 -24.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.15 123.14 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.46 37.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -93.18 109.25 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.394 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -89.29 113.08 24.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.3 m -108.47 107.81 18.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.6 t -81.31 87.32 6.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.93 99.8 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.777 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.9 p -96.22 -177.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.777 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -30.97 -71.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.45 -30.98 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 86' ' ' LYS . 1.1 t -73.71 179.05 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 17.7 mtmm -166.83 140.87 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.5 t -131.42 134.88 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.8 m -119.49 146.39 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -154.76 169.45 23.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.3 m -127.59 120.08 27.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.65 HD12 ' H ' ' A' ' 92' ' ' HIS . 22.8 tp -88.66 146.49 25.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.65 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.8 m-70 -125.12 151.0 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.2 t -157.38 112.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.434 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 38.4 mt-10 -134.35 144.07 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.51 148.92 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -86.58 155.33 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.07 81.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -93.76 110.28 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -169.52 -165.52 27.03 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -20.22 35.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.8 p -168.09 164.84 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.7 p -139.04 152.99 48.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -147.15 125.21 12.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 p -43.92 155.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.63 -159.5 18.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -88.52 158.77 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -99.59 129.29 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.24 86.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 157.66 59.75 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.41 21.03 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -47.8 164.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.0 mt -97.31 130.29 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -103.78 -35.97 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 63.2 mttm -109.77 97.14 27.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.535 0.684 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.9 Cg_endo -69.7 162.66 41.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 28' ' ' LEU . 4.5 mt -70.82 172.82 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -138.18 146.78 43.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.23 126.81 22.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -98.66 147.69 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.464 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 5.0 m-90 -131.33 95.54 3.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.68 -176.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.7 164.48 14.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.719 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.1 Cg_endo -69.72 87.62 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.63 -10.98 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.53 176.24 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -100.97 148.71 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.39 147.97 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.06 125.4 21.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.813 ' HB3' HD22 ' A' ' 15' ' ' LEU . 15.5 mt -121.89 90.29 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 17.0 mtm105 -88.58 151.96 22.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.787 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 6.4 p -141.26 -175.94 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 11' ' ' ILE . 14.6 tt0 -135.1 144.91 47.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 11' ' ' ILE . 6.4 mt -131.6 131.87 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -51.23 -28.71 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' C ' HG22 ' A' ' 61' ' ' THR . 0.0 OUTLIER -133.86 143.52 48.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.988 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -96.54 125.77 41.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.33 -27.44 2.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.553 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -79.22 124.08 84.5 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.595 0.712 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.36 60.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.27 . . . . 0.0 112.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.541 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 4.0 p -101.44 146.86 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -106.41 106.22 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.613 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.8 m95 -88.68 107.94 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.19 119.87 40.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' HB2' HD11 ' A' ' 48' ' ' ILE . 35.1 tttm -108.12 102.0 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.99 51.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 57.38 45.69 19.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -149.71 122.15 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 125.73 24.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 43' ' ' LYS . 35.6 mt -88.54 148.43 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -111.96 133.46 54.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -64.87 111.27 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.6 t -154.42 169.4 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.5 pt20 -34.51 -36.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HZ2' HG23 ' A' ' 67' ' ' ILE . 18.5 tptp -70.0 -59.78 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' HB3' HD11 ' A' ' 65' ' ' LEU . 60.0 m-85 -109.22 122.13 46.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.62 113.99 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.03 103.23 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -103.55 99.94 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 39.8 t -110.59 100.91 9.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 60' ' ' GLY . 12.8 mm-40 -145.14 153.69 41.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 37.19 54.54 1.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.988 HG23 ' HB2' ' A' ' 35' ' ' ALA . 52.5 p 49.58 46.01 23.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.778 0.323 . . . . 0.0 111.087 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.7 ttp -142.91 105.09 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.787 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -97.01 114.11 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.413 ' CG ' ' HG2' ' A' ' 29' ' ' ARG . 59.8 ttp -117.78 137.11 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.613 HD22 ' CE3' ' A' ' 41' ' ' TRP . 53.6 tp -119.62 101.01 7.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -81.71 129.15 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.571 HG23 ' HZ2' ' A' ' 53' ' ' LYS . 14.0 mt -117.16 86.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -56.36 135.72 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.25 81.18 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.47 102.04 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.6 m -83.14 167.98 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD23 HG12 ' A' ' 93' ' ' VAL . 26.9 mt -53.99 -23.78 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -83.73 -36.23 23.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' OD2' ' NZ ' ' A' ' 53' ' ' LYS . 2.8 m-20 -51.35 -22.14 2.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 120.38 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.2 -172.73 33.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -98.98 130.62 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -111.81 112.02 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.0 m -100.48 108.09 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.25 77.45 9.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -68.02 116.65 8.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.783 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.3 p -109.65 -178.4 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.783 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.13 -69.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.1 -32.33 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.463 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.1 t -73.06 -175.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -166.42 147.01 6.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -134.82 128.62 33.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -115.8 148.0 40.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -159.14 163.21 36.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -126.09 131.0 52.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -97.45 137.11 36.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.464 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 79.4 m-70 -117.58 144.93 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.481 HG12 HD23 ' A' ' 72' ' ' LEU . 75.1 t -141.06 107.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -132.38 136.73 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -83.31 170.11 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -102.12 -11.48 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.8 157.7 29.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 t -75.18 132.17 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.16 -179.28 39.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 89.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 0.0 112.39 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.8 m 49.11 39.17 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.9 m -106.94 156.83 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 m -81.11 100.89 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -94.95 134.13 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.95 -93.92 0.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -145.09 127.2 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -84.17 89.75 7.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.52 -97.04 2.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.86 65.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.653 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . -84.38 44.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' ' OG ' ' A' ' 85' ' ' SER . . . -71.51 169.73 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.721 HD11 ' HB ' ' A' ' 82' ' ' VAL . 65.2 mt -97.04 106.84 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.568 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -80.17 -37.73 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 68.5 mttt -105.66 93.75 7.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 110.907 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.79 155.88 64.72 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 28' ' ' LEU . 16.5 mt -62.09 176.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -144.29 162.81 35.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.4 127.09 30.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -103.03 149.48 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.566 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 8.9 m-90 -133.0 97.29 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.2 m -128.31 -176.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.1 161.19 23.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.619 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.74 87.08 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.8 -11.32 1.09 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -90.6 178.45 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.86 125.43 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.429 ' HB ' HD12 ' A' ' 67' ' ' ILE . 91.0 t -94.25 144.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.05 107.8 7.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.826 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.9 mt -98.69 96.9 8.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 26.4 mtm105 -92.84 143.19 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -135.36 -175.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -135.83 147.92 48.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' CG2' ' A' ' 61' ' ' THR . 3.4 mt -133.03 132.41 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.0 t -57.57 -15.02 6.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 24.4 ttm180 -154.73 140.96 18.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.03 -175.97 6.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 57.39 46.95 91.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.598 HG23 ' HD2' ' A' ' 38' ' ' PRO . 71.0 m -128.45 137.37 30.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.621 0.724 . . . . 0.0 111.09 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 37' ' ' THR . 54.1 Cg_endo -69.76 144.56 54.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.01 148.77 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -124.52 102.31 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.591 ' HB3' HD12 ' A' ' 48' ' ' ILE . 97.8 m95 -83.28 112.49 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.14 125.73 54.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.699 ' HB2' HD11 ' A' ' 48' ' ' ILE . 9.0 tttm -110.48 90.46 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 72.44 51.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 63.52 38.88 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -143.06 129.1 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.7 119.18 12.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.699 HD11 ' HB2' ' A' ' 43' ' ' LYS . 62.4 mt -81.76 136.56 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 124.28 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -55.3 110.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 39.6 p -149.39 172.53 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' SER . 35.5 mt-30 -37.5 -41.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -69.06 -54.85 12.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.462 ' CD2' HG23 ' A' ' 48' ' ' ILE . 46.4 m-85 -102.42 113.9 27.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.43 93.08 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.2 t -71.62 94.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.88 132.47 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.4 t -130.73 91.1 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -108.58 79.93 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.55 -114.3 3.97 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.5 p -105.71 40.7 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -146.05 109.04 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.452 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -100.24 115.61 30.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.0 ttp -115.38 129.53 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD22 ' CE3' ' A' ' 41' ' ' TRP . 31.8 tp -113.92 101.21 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.2 t -76.17 137.68 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.474 HD13 ' OH ' ' A' ' 78' ' ' TYR . 18.6 mt -121.51 81.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -51.11 139.11 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.02 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.55 100.98 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -92.3 167.25 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.4 mt -39.84 -38.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -61.08 -47.37 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.78 -38.76 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.493 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -47.27 116.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.92 -166.11 30.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -99.03 130.43 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' A' ' 67' ' ' ILE . 95.2 m-85 -108.19 100.12 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 86' ' ' LYS . 99.6 m -94.42 111.67 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.3 t -91.92 94.81 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -81.82 99.69 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.789 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -91.42 179.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.789 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.3 -70.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.36 -28.3 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.685 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -81.44 -179.15 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' HD3' ' CG2' ' A' ' 79' ' ' THR . 13.8 ttmt -160.16 159.71 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 t -144.32 128.17 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.4 m -117.13 145.27 43.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.78 165.38 36.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.5 p -125.66 123.12 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 75' ' ' ALA . 11.6 tp -91.95 144.37 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 71.4 m-70 -125.72 134.16 51.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.7 t -135.87 106.86 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -123.57 130.88 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' LYS . 16.8 tt0 -77.36 146.76 36.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' GLU . 17.1 ptmt -35.56 129.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.64 88.68 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t -112.77 -47.18 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -63.56 153.34 46.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 m -123.46 129.15 50.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.2 m -96.17 149.6 21.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 42.33 41.97 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -148.97 173.53 13.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.1 -122.1 1.05 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -115.65 161.92 17.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.5 162.43 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.04 -160.5 13.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 147.2 61.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.576 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . -118.22 40.86 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 178.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.635 HD11 ' HB ' ' A' ' 82' ' ' VAL . 57.2 mt -100.58 121.2 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.679 HD11 ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.33 -36.1 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 33.9 mtpt -115.43 110.2 45.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.75 157.65 59.68 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 80' ' ' CYS . 87.0 mt -61.1 175.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -139.48 162.27 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 4.9 p30 -76.54 123.34 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -104.35 140.01 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 9.7 m-90 -120.21 110.36 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.1 m -133.41 -175.07 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.662 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.35 162.8 18.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.82 84.65 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.11 -10.15 0.99 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.84 -178.45 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -114.38 124.5 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.617 ' HB ' HD12 ' A' ' 67' ' ' ILE . 55.7 t -88.06 152.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -140.83 110.4 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 65' ' ' LEU . 5.5 mt -105.07 98.44 8.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -95.66 156.56 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -148.08 -175.03 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.679 ' OE1' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -132.68 133.58 43.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 3.0 mt -118.09 132.91 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.462 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 10.2 p -52.7 -22.25 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 66.2 ttt-85 -143.23 132.55 23.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.613 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -68.07 176.6 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.46 60.47 5.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.58 HG23 ' HD2' ' A' ' 38' ' ' PRO . 57.9 m -130.63 136.82 29.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.558 0.694 . . . . 0.0 111.139 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.58 ' HD2' HG23 ' A' ' 37' ' ' THR . 53.6 Cg_endo -69.79 143.0 49.34 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 40' ' ' HIS . 7.9 p -124.28 163.85 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' N ' HG22 ' A' ' 39' ' ' VAL . 2.5 t-160 -132.31 93.63 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.608 ' CE3' HD22 ' A' ' 65' ' ' LEU . 95.7 m95 -77.92 109.82 12.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 47' ' ' ALA . 5.8 mt -109.99 127.88 55.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.828 ' HB2' HD11 ' A' ' 48' ' ' ILE . 10.3 tmtt? -116.46 102.93 9.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.74 45.51 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 65.92 41.67 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -143.22 129.14 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -70.66 112.66 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.075 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.828 HD11 ' HB2' ' A' ' 43' ' ' LYS . 22.3 mt -78.87 161.05 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.517 ' N ' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -125.05 164.4 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -85.29 127.3 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -168.24 -179.73 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.61 -42.28 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -68.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.627 ' CD2' ' CG2' ' A' ' 48' ' ' ILE . 24.6 m-85 -95.49 110.67 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -106.02 111.81 24.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -82.18 118.69 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.6 t -122.37 81.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 37.8 t -99.99 89.05 3.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CD ' ' C ' ' A' ' 58' ' ' CYS . 6.3 mp0 -133.08 158.4 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 32.86 67.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 35' ' ' ALA . 0.9 OUTLIER 40.41 46.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 111.094 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.0 ttp -146.55 108.15 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -101.72 106.85 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 32.8 ttp -112.16 138.96 48.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.608 HD22 ' CE3' ' A' ' 41' ' ' TRP . 29.8 tp -120.6 100.2 6.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.84 142.21 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.899 HG21 ' OD2' ' A' ' 74' ' ' ASP . 41.0 mt -126.84 90.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -57.1 129.61 42.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.24 74.41 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.9 99.98 9.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.0 m -90.95 167.43 12.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.594 ' HA ' HG13 ' A' ' 93' ' ' VAL . 22.9 mt -41.98 -34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' ASP . 15.0 ttpt -66.53 -53.4 35.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.899 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.1 t70 -34.26 -46.62 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.976 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -46.59 117.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.91 37.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.54 99.11 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -88.11 115.41 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 100.0 m -106.52 103.9 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.58 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.8 t -80.97 89.64 5.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.27 110.64 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.79 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.5 p -91.2 -179.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.79 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -28.8 -67.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.01 -42.9 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.484 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -74.95 177.74 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.12 128.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.5 t -108.79 161.38 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.5 m -138.55 134.06 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.56 -176.88 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.0 t -141.92 129.25 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.524 ' O ' ' HB1' ' A' ' 75' ' ' ALA . 15.3 tp -94.21 138.82 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.627 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 67.3 m-70 -118.47 145.29 45.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.976 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -155.61 131.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 37.3 mt-10 -145.35 140.88 28.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 22' ' ' PRO . 10.0 tm-20 -74.23 156.7 36.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -79.7 80.16 6.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.06 113.06 13.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -109.22 82.38 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.34 -172.03 22.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.557 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.79 3.12 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.3 t 66.6 42.09 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.6 p -112.87 160.57 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -73.08 98.3 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -103.05 95.71 6.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.32 -77.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -96.65 154.06 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -130.65 127.02 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.51 172.14 13.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.456 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 172.76 12.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.575 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . -115.68 23.48 12.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.02 -179.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.702 HD11 ' HB ' ' A' ' 82' ' ' VAL . 41.3 mt -107.84 113.49 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.531 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.38 -36.63 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -108.5 96.81 20.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.526 0.679 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 155.0 67.37 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 18.0 mt -60.82 167.79 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -133.98 154.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.59 139.86 58.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -118.77 141.29 48.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 -121.9 103.5 8.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.44 HG11 HG22 ' A' ' 26' ' ' VAL . 20.9 m -130.38 -178.02 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.36 164.45 14.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.724 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.3 Cg_endo -69.77 92.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.33 -8.87 3.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -91.71 171.59 9.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -100.08 149.41 23.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG11 ' A' ' 20' ' ' VAL . 73.0 t -125.0 139.12 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.95 106.13 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.655 HD12 HD23 ' A' ' 65' ' ' LEU . 4.8 mt -98.01 101.37 12.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -94.66 162.81 13.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.6 p -153.07 179.23 8.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -133.89 141.01 47.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' C ' HD11 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -127.72 142.21 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.7 t -60.13 -13.95 14.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 35' ' ' ALA . 20.8 ttm180 -159.14 147.41 17.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 34' ' ' ARG . . . -82.04 -176.59 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.03 -55.66 4.93 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.3 m -52.22 110.59 1.97 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 111.082 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 144.89 55.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG13 ' CD1' ' A' ' 41' ' ' TRP . 5.8 p -96.84 147.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -105.94 100.64 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.665 ' CE3' HD22 ' A' ' 65' ' ' LEU . 97.9 m95 -81.19 111.14 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.6 mt -113.53 127.51 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB2' HD11 ' A' ' 48' ' ' ILE . 12.9 tptm -107.3 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.06 48.0 18.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? 66.88 42.4 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -144.77 107.06 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -49.47 127.85 16.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 41' ' ' TRP . 43.5 mt -92.01 146.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -116.38 120.35 38.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -45.47 130.72 8.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.8 t -170.88 170.93 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' SER . 39.2 tp60 -37.34 -42.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.75 -66.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.48 ' HB3' HD11 ' A' ' 65' ' ' LEU . 33.1 m-85 -97.34 101.13 12.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.46 104.25 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 t -82.32 108.17 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 t -108.51 106.68 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.0 t -112.09 93.76 4.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.85 80.37 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' HA2' ' HB1' ' A' ' 35' ' ' ALA . . . 79.11 -115.49 4.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.437 HG22 ' C ' ' A' ' 34' ' ' ARG . 32.3 p -97.89 39.8 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 111.181 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -144.52 119.19 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.711 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -111.96 107.4 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 48.4 ttp -108.84 153.91 22.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.665 HD22 ' CE3' ' A' ' 41' ' ' TRP . 20.3 tp -138.41 109.67 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.8 125.92 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.4 mt -109.29 77.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -45.25 134.86 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.18 82.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.79 100.71 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.3 m -80.66 157.88 25.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.1 mt -38.69 -37.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -63.24 -42.7 99.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -46.15 -40.88 11.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.47 116.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.92 -171.84 40.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.61 142.19 27.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -121.43 105.24 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.4 m -96.5 111.52 23.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.75 87.4 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.49 121.15 16.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.775 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.9 p -109.77 178.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.775 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.52 -71.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.66 -31.83 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.674 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.9 m -78.9 -174.51 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -159.37 162.85 35.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -151.01 142.36 23.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -131.37 156.09 46.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -147.41 -176.63 5.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -144.27 111.84 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.9 tp -91.65 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -118.89 137.86 53.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.6 t -140.12 109.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.439 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 11.0 mt-10 -125.36 140.2 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' HA ' ' CD ' ' A' ' 22' ' ' PRO . 2.9 tm-20 -78.39 140.12 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -89.98 161.79 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -150.99 -178.09 6.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -132.57 46.7 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.33 -179.18 22.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.52 60.07 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.8 p -159.39 151.9 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 m -66.6 136.48 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -57.43 -54.22 49.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p -100.31 142.07 32.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.48 -171.8 20.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -149.04 152.82 36.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -106.01 89.74 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.78 78.17 0.22 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' CA ' ' HG2' ' A' ' 34' ' ' ARG . . . -111.83 13.66 20.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -36.76 154.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mt -93.16 111.53 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -86.6 -36.09 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 35.2 mttp -106.99 95.84 13.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 28' ' ' LEU . 5.9 mt -63.98 177.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -147.32 149.56 33.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 5.8 m-20 -53.74 126.8 23.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -104.29 131.8 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -108.68 102.08 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.778 HG11 HG22 ' A' ' 26' ' ' VAL . 18.9 m -128.91 -175.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.734 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -111.61 165.19 13.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.734 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 52.9 Cg_endo -69.83 92.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.286 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 136.66 -13.39 3.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.6 171.28 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -102.42 130.22 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.778 HG22 HG11 ' A' ' 20' ' ' VAL . 56.0 t -103.11 142.96 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -129.97 118.41 21.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.6 mt -110.68 90.63 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -82.08 161.06 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.8 p -149.64 -175.16 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -143.63 140.34 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.32 144.73 49.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -55.5 -27.49 48.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HG2' ' CA ' ' A' ' 9' ' ' ALA . 15.0 ptt180 -147.21 158.12 43.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -91.36 -176.66 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.53 40.59 98.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.482 ' CG2' ' OE2' ' A' ' 83' ' ' GLU . 17.1 m -132.5 126.56 20.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 111.156 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 149.65 67.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.477 HG22 ' H ' ' A' ' 40' ' ' HIS . 5.5 p -119.81 165.79 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.477 ' H ' HG22 ' A' ' 39' ' ' VAL . 4.1 t-160 -133.56 116.82 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.561 ' HB3' HD12 ' A' ' 48' ' ' ILE . 90.1 m95 -98.89 114.75 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 47' ' ' ALA . 7.0 mt -114.78 119.41 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB2' HD11 ' A' ' 48' ' ' ILE . 15.4 tttt -108.33 102.62 11.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 63.05 53.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.23 45.93 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -147.35 117.69 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -60.47 129.0 39.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 41' ' ' TRP . 43.6 mt -93.28 144.23 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -119.14 116.41 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -38.74 137.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 52' ' ' GLN . 54.5 p -169.88 166.01 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.4 tp-100 -35.08 -38.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -72.01 -68.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.493 ' HB3' HD11 ' A' ' 65' ' ' LEU . 48.2 m-85 -87.99 119.85 28.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -110.23 109.37 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.42 99.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.42 127.63 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.2 t -126.58 93.69 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -101.21 48.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.43 -112.76 4.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.524 HG23 ' HB2' ' A' ' 35' ' ' ALA . 14.1 p -89.52 37.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.335 . . . . 0.0 111.161 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.4 ttp -153.13 119.6 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.628 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -114.61 116.64 29.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.1 ttp -115.61 146.26 41.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.501 HD22 ' CE3' ' A' ' 41' ' ' TRP . 18.9 tp -128.78 103.86 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 t -81.18 134.05 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 67' ' ' ILE . 19.4 mt -118.49 76.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLY . 16.4 mmm180 -44.97 140.25 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 37.73 77.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 100.47 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.9 m -80.95 159.68 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.538 HD23 HG22 ' A' ' 93' ' ' VAL . 37.3 mt -40.11 -35.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -66.67 -46.7 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.402 ' OD2' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -39.23 -36.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.911 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -51.51 123.36 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.5 -167.51 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -104.64 130.46 52.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.95 108.31 17.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 m -93.96 110.07 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.93 95.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -88.13 124.51 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.668 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -126.81 -174.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.668 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.74 -72.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.6 -26.25 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.465 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -78.66 167.28 21.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -155.58 140.65 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 t -127.29 153.8 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 m -141.65 146.41 36.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -151.75 178.79 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 52.7 p -141.58 120.71 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 75' ' ' ALA . 11.8 tp -84.07 138.08 33.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.501 ' CD2' ' HB3' ' A' ' 17' ' ' ASP . 85.4 m-70 -119.29 133.47 55.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.911 HG12 ' HB2' ' A' ' 75' ' ' ALA . 1.2 p -140.96 136.38 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -153.71 138.65 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -84.04 149.34 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -85.16 -177.26 6.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -156.87 155.5 31.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 p -83.92 112.73 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.2 179.4 35.91 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 103' ' ' GLY . 53.7 Cg_endo -69.77 -4.17 13.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' PRO . 95.7 p -35.61 125.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t 48.12 37.7 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 100' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -97.09 136.9 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -167.51 123.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.79 -112.57 2.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -84.24 134.86 34.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -99.12 129.3 45.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.12 -167.06 33.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 157.51 60.14 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.62 2.214 . . . . 0.0 112.396 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.693 ' HB2' ' HG2' ' A' ' 34' ' ' ARG . . . -85.86 24.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.7 158.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.787 HD11 ' HB ' ' A' ' 82' ' ' VAL . 28.6 mt -96.21 118.96 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.467 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -93.36 -37.87 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 45.0 mttm -104.91 94.75 7.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.8 Cg_endo -69.75 156.52 63.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.733 2.288 . . . . 0.0 112.365 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 80' ' ' CYS . 5.0 mt -66.5 -179.48 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -145.16 179.95 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.42 128.77 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -106.54 139.24 41.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.536 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 7.9 m-90 -123.53 105.59 9.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -131.92 -175.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -103.68 159.01 30.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.721 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.2 Cg_endo -69.72 86.72 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.66 -12.39 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.36 170.72 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -97.01 150.5 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.499 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 92.8 t -125.13 141.88 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -129.44 127.41 40.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 65' ' ' LEU . 6.3 mt -117.86 104.85 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -100.38 149.27 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.8 p -134.27 -175.2 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.1 tp10 -137.6 134.27 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -121.17 133.33 55.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -46.8 -36.43 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.693 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 4.6 ptt180 -139.43 146.47 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -86.63 39.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.28 55.02 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.475 HG21 ' HG2' ' A' ' 83' ' ' GLU . 52.7 m -167.51 132.14 1.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.545 0.688 . . . . 0.0 111.113 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.42 24.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.242 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.3 p -124.02 153.49 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 2.7 t-160 -120.95 109.94 15.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.813 ' CE3' HD22 ' A' ' 65' ' ' LEU . 96.3 m95 -91.06 112.61 24.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 mt -116.69 114.13 23.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.634 ' HB2' HD11 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -103.68 105.82 16.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 58.81 50.31 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 60.48 42.12 14.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -146.24 114.31 6.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.79 132.37 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.809 HD12 ' HB3' ' A' ' 41' ' ' TRP . 45.1 mt -93.62 138.24 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -112.91 116.0 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -42.37 115.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -149.85 172.8 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -45.97 -24.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -84.77 -55.68 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.404 ' HB3' HD11 ' A' ' 65' ' ' LEU . 49.1 m-85 -103.19 104.04 14.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -96.08 106.78 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 t -86.39 115.02 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.8 t -119.73 98.45 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.4 t -105.04 103.4 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' GLY . 4.4 mm-40 -138.07 143.4 40.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.85 75.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 35' ' ' ALA . 45.2 p 39.54 42.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 111.103 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -139.74 105.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.502 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -101.94 103.51 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 47.5 ttp -102.6 148.75 25.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.813 HD22 ' CE3' ' A' ' 41' ' ' TRP . 17.6 tp -134.37 104.08 5.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.35 136.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.45 HD12 ' HB ' ' A' ' 26' ' ' VAL . 22.7 mt -119.96 77.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -52.48 134.66 34.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.16 81.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.49 100.87 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ASP . 2.9 p -84.85 159.99 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.741 HD23 HG22 ' A' ' 93' ' ' VAL . 67.1 mt -39.52 -34.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.426 ' CG ' ' N ' ' A' ' 74' ' ' ASP . 19.2 pttt -69.85 -43.15 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.1 m-20 -42.56 -32.87 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.937 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -55.42 119.36 5.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.36 -171.52 34.31 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -95.76 126.49 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -105.95 105.26 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.2 m -99.53 112.43 24.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 35.0 t -90.72 91.01 8.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 40' ' ' HIS . 3.9 tt0 -79.76 118.39 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.787 ' HB ' HD11 ' A' ' 11' ' ' ILE . 2.9 p -112.43 179.13 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.783 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -28.53 -72.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -34.01 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.681 ' C ' HG12 ' A' ' 82' ' ' VAL . 3.5 m -80.68 -174.66 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.5 ttpt -175.69 149.44 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 22.8 t -123.44 162.03 23.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -144.58 130.66 19.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -132.99 -178.71 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.9 m -148.68 107.63 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 92' ' ' HIS . 27.4 tp -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.619 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.3 m-70 -127.71 141.13 51.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.937 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -147.8 132.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -143.69 131.61 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' CB ' ' HG3' ' A' ' 22' ' ' PRO . 4.6 tt0 -82.35 157.82 23.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -74.76 135.2 41.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -151.0 125.36 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 t -71.8 79.19 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.59 158.89 9.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.82 18.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.6 m -106.36 99.08 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.9 p -63.68 -52.11 62.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.525 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m -112.77 41.21 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.792 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -91.42 129.4 37.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.88 -140.77 16.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 m -56.88 87.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.372 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -81.95 144.99 30.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.26 129.12 9.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.432 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 157.64 59.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.91 32.48 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.55 174.79 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.504 HG12 HD23 ' A' ' 32' ' ' LEU . 23.5 mt -102.93 133.95 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -106.7 -35.44 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 32.9 mttm -110.83 97.35 33.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 155.53 65.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 13.3 mt -62.67 -176.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -152.18 141.39 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -46.28 133.43 9.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -112.38 142.47 44.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -122.71 97.96 5.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 26' ' ' VAL . 18.0 m -122.65 -176.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -108.28 162.44 19.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.71 89.45 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.12 -12.02 2.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.89 179.14 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.44 127.74 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.486 ' CG2' HG21 ' A' ' 20' ' ' VAL . 53.5 t -97.82 139.63 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -129.7 120.02 24.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 15' ' ' LEU . 12.6 mt -111.88 88.91 2.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HG2' ' CG ' ' A' ' 64' ' ' MET . 45.5 mtt180 -86.35 151.77 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -145.2 -176.57 5.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 11' ' ' ILE . 24.3 tt0 -132.47 140.97 48.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HG12 ' A' ' 11' ' ' ILE . 1.8 mt -126.94 135.54 51.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -54.05 -24.02 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' C ' HG22 ' A' ' 61' ' ' THR . 27.4 ttt180 -136.7 135.09 37.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.741 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -76.9 -177.16 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.65 31.06 29.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.569 HG23 ' OE2' ' A' ' 83' ' ' GLU . 49.6 m -113.96 125.52 29.3 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.549 0.69 . . . . 0.0 111.162 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.33 67.93 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 40' ' ' HIS . 7.8 p -117.74 160.37 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.475 ' N ' HG22 ' A' ' 39' ' ' VAL . 4.6 t-160 -116.98 103.09 9.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.663 ' HB3' HD12 ' A' ' 48' ' ' ILE . 95.9 m95 -86.22 105.16 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mt -104.88 122.77 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.577 ' HB2' HD11 ' A' ' 48' ' ' ILE . 16.2 tttm -107.11 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 65.35 47.89 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 66.92 31.41 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -137.75 114.02 10.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.41 121.4 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' A' ' 41' ' ' TRP . 53.0 mt -81.84 143.68 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -109.17 133.16 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' HG3' HG23 ' A' ' 56' ' ' VAL . 32.8 ttpt -56.92 118.02 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 52' ' ' GLN . 3.2 m -153.06 162.93 40.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 51' ' ' SER . 34.7 mm-40 -34.61 -42.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.01 -54.66 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.46 ' HB3' HD11 ' A' ' 65' ' ' LEU . 28.9 m-85 -103.98 105.04 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.83 113.17 25.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 50' ' ' LYS . 19.0 t -79.08 110.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.8 HG12 ' OE1' ' A' ' 59' ' ' GLU . 61.6 t -111.49 143.07 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.7 t -150.49 113.47 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.8 ' OE1' HG12 ' A' ' 57' ' ' VAL . 37.6 mp0 -132.14 98.85 4.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 49.62 90.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.741 HG23 ' HB2' ' A' ' 35' ' ' ALA . 72.1 p 44.08 36.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.421 ' HE3' ' OE1' ' A' ' 59' ' ' GLU . 10.9 tmm? -134.86 89.3 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.95 121.18 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.403 ' CG ' ' HG2' ' A' ' 29' ' ' ARG . 36.4 ttp -126.85 133.83 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD22 ' CE3' ' A' ' 41' ' ' TRP . 33.2 tp -113.48 105.1 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.28 141.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.932 HG21 ' OD2' ' A' ' 74' ' ' ASP . 34.7 mt -125.41 82.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.1 129.73 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 42.1 78.28 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.11 102.31 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -84.33 160.15 20.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 93' ' ' VAL . 20.8 mt -39.74 -33.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.15 -52.8 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.932 ' OD2' HG21 ' A' ' 67' ' ' ILE . 1.6 t70 -38.87 -31.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.968 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -54.42 118.4 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.54 -143.72 3.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -126.14 120.39 30.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.416 ' OH ' HD13 ' A' ' 67' ' ' ILE . 88.0 m-85 -103.69 112.26 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.932 HG23 ' O ' ' A' ' 87' ' ' SER . 45.2 m -108.27 107.85 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.565 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -84.4 86.14 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 8.6 tt0 -80.13 104.88 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.717 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.4 p -80.1 -178.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.717 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -30.06 -63.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.58 -42.47 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.435 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.5 t -77.01 178.94 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 25.9 pttt -168.54 147.19 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.932 ' O ' HG23 ' A' ' 79' ' ' THR . 37.7 t -116.14 -175.29 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.6 m -159.93 136.62 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -145.28 157.84 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 m -123.26 115.25 21.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 ' H ' ' A' ' 92' ' ' HIS . 15.9 tp -79.01 158.47 27.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.6 ' H ' HD12 ' A' ' 91' ' ' LEU . 98.0 m-70 -140.97 130.0 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.968 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.19 133.42 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.413 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 56.1 mt-10 -153.42 136.62 15.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -78.31 169.34 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.54 88.98 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -144.56 134.35 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 t -88.32 54.32 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.31 155.29 2.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -11.71 31.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.5 p -84.6 85.61 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.9 t -135.7 113.49 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -68.78 129.12 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -39.45 -47.61 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.99 -132.24 0.99 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.2 p -96.84 151.6 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -62.62 101.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.73 118.05 2.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -179.18 2.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . -126.25 27.57 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HA ' HG11 ' A' ' 82' ' ' VAL . . . -71.52 171.13 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.1 mt -93.29 111.83 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.27 -36.5 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 53.6 mttm -108.84 98.77 31.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.53 0.681 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.78 161.9 44.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.526 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 5.8 mt -70.57 174.72 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.31 140.69 32.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -46.18 129.95 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -107.15 144.83 33.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.578 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 9.0 m-90 -126.92 97.63 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.68 -175.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.4 161.47 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.73 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.55 -12.12 1.98 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.44 172.66 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.55 136.0 43.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -105.59 142.67 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -131.5 110.08 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.495 HD12 HD23 ' A' ' 65' ' ' LEU . 14.5 mt -101.23 98.52 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -94.44 154.51 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.607 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -142.96 -177.83 5.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 2.8 tp10 -133.76 141.25 47.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' C ' HD11 ' A' ' 12' ' ' ILE . 3.2 mt -128.81 138.6 52.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -63.73 -7.09 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 19.0 ttm180 -154.26 139.35 17.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -84.21 179.85 7.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.16 11.11 31.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.745 HG23 ' OE2' ' A' ' 83' ' ' GLU . 1.4 m -94.24 132.8 28.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.93 55.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 8.9 p -132.01 149.74 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.39 103.89 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.773 ' CE3' HD22 ' A' ' 65' ' ' LEU . 98.8 m95 -84.82 108.17 17.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -110.49 119.05 37.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.612 ' HB2' HD11 ' A' ' 48' ' ' ILE . 41.7 tttm -104.51 105.7 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.3 48.82 18.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 65.34 44.89 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -151.8 114.87 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.16 129.38 31.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.739 HD12 ' HB3' ' A' ' 41' ' ' TRP . 53.5 mt -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' N ' HG22 ' A' ' 48' ' ' ILE . 12.6 ptt180 -118.5 140.4 49.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -69.32 123.0 20.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -165.85 171.99 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -42.6 -37.3 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HE2' HG23 ' A' ' 67' ' ' ILE . 15.6 tptm -69.69 -54.15 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 55.2 m-85 -112.99 98.16 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.2 116.62 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.6 t -94.0 103.35 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.435 HG12 ' HG3' ' A' ' 59' ' ' GLU . 97.2 t -102.28 122.63 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 24.5 t -112.72 90.03 3.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 61' ' ' THR . 63.8 mt-10 -101.76 178.27 4.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -36.18 95.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 35' ' ' ALA . 30.1 p 43.8 45.66 6.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.145 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 62' ' ' MET . 10.6 tmm? -145.52 109.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.607 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.51 108.51 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.3 ttp -108.94 138.13 45.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.773 HD22 ' CE3' ' A' ' 41' ' ' TRP . 18.6 tp -122.94 100.3 6.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.84 134.85 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.505 HG23 ' HE2' ' A' ' 53' ' ' LYS . 18.8 mt -119.77 78.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -44.88 135.77 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.41 82.28 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.45 100.19 12.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.628 HD23 HG12 ' A' ' 93' ' ' VAL . 27.6 mt -54.22 -35.18 62.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.04 -44.71 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -35.07 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -50.05 121.34 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.18 -159.98 11.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -116.03 116.78 28.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -101.81 119.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 87' ' ' SER . 22.4 m -107.49 105.26 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 8.7 t -81.35 95.28 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 4.4 tt0 -92.51 124.51 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.731 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -104.6 -174.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.745 ' OE2' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -29.3 -70.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 -28.95 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 t -86.55 178.58 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 4.0 ptpp? -175.35 147.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 79' ' ' THR . 18.4 t -125.33 169.18 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.9 m -143.29 142.66 31.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -144.89 -178.4 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -142.12 129.73 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 75' ' ' ALA . 8.0 tp -95.99 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 81.7 m-70 -123.4 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.628 HG12 HD23 ' A' ' 72' ' ' LEU . 76.1 t -142.25 123.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -139.05 135.6 34.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -74.38 165.39 25.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 165.48 2.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.01 117.88 19.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 t -110.25 109.43 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.96 170.57 38.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -14.1 35.63 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 m -57.64 160.55 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.6 p -164.99 127.1 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -64.01 -56.53 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -138.76 113.89 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.84 145.91 5.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -48.16 157.55 0.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -92.33 130.07 38.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.34 81.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 179.86 3.41 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.329 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.812 ' HB1' HG21 ' A' ' 37' ' ' THR . . . -104.07 19.27 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.07 170.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' GLU . 30.7 mt -102.15 114.76 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.48 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -87.35 -35.66 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttm -112.26 97.94 41.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.77 165.69 30.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 28' ' ' LEU . 3.2 mt -70.94 179.77 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -145.44 147.05 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -53.17 131.76 37.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -111.8 137.98 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -116.15 96.61 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 26' ' ' VAL . 17.2 m -120.47 -176.23 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.778 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -113.38 166.55 10.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.778 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.8 92.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.19 -15.45 3.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.38 172.29 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.25 135.86 43.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG22 HG11 ' A' ' 20' ' ' VAL . 51.8 t -104.18 136.07 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -125.68 113.56 17.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HB3' HD22 ' A' ' 15' ' ' LEU . 16.3 mt -109.88 100.84 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -93.65 162.24 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -156.02 -175.14 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.9 tt0 -135.1 156.77 48.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 31' ' ' GLU . 1.7 mt -142.19 137.8 31.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -63.82 -7.41 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.529 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 2.4 tpm_? -141.96 140.14 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -83.45 166.54 18.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.55 17.65 54.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.812 HG21 ' HB1' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -92.78 117.47 67.58 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.602 0.715 . . . . 0.0 111.1 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 153.84 68.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -126.03 157.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -120.92 108.2 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.62 ' CB ' HD12 ' A' ' 48' ' ' ILE . 80.5 m95 -86.47 119.48 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.64 116.46 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 109.15 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.49 39.38 25.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 69.95 43.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -143.72 121.14 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.85 123.73 18.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 41' ' ' TRP . 27.4 mt -88.06 153.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -119.75 136.86 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -64.82 109.75 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' LYS . 5.9 p -146.14 163.98 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' SER . 3.0 mp0 -36.22 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -81.33 -51.28 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -107.37 114.76 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -104.49 125.94 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.7 105.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.55 137.0 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.9 t -146.09 107.62 4.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' GLY . 16.5 mt-10 -154.41 156.68 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.82 60.67 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.549 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 35' ' ' ALA . 30.0 p 43.66 40.96 3.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.145 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.414 ' CE ' ' HB2' ' A' ' 64' ' ' MET . 0.0 OUTLIER -140.72 119.14 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.63 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -115.41 128.61 56.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.414 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 60.5 ttp -126.8 159.57 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD22 ' CE3' ' A' ' 41' ' ' TRP . 12.1 tp -140.04 119.7 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 t -100.28 125.5 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 67' ' ' ILE . 18.7 mt -109.93 76.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 mmm-85 -45.3 133.33 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.81 81.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HA ' ' CG ' ' A' ' 74' ' ' ASP . . . -92.38 100.95 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.9 m -90.27 176.55 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.21 -30.54 11.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -69.61 -46.37 66.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -43.68 -37.47 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 121.64 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.05 -168.62 37.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' OE2' HG21 ' A' ' 88' ' ' THR . 5.4 tt0 -100.44 129.03 46.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -110.79 102.83 11.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -93.65 111.84 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.19 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.2 95.91 9.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.05 123.27 30.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.675 HG22 ' OE2' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -121.01 -174.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.675 ' OE2' HG22 ' A' ' 82' ' ' VAL . 1.4 mm-40 -32.16 -72.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.75 -25.39 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.4 174.95 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -163.74 145.0 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.9 t -133.48 166.94 21.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.47 HG21 ' OE2' ' A' ' 77' ' ' GLU . 5.1 m -153.3 156.17 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.99 168.86 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.4 m -126.8 120.52 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.2 tp -90.99 140.26 30.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -117.9 148.41 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.3 t -150.95 113.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -129.74 134.78 47.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -63.54 159.16 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -128.79 177.33 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.25 164.27 9.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 t -152.45 170.17 20.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.15 -177.13 47.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 134.88 28.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.29 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -79.83 -56.51 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.4 p -55.09 117.65 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -63.09 108.04 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -117.68 104.45 11.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.42 79.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -84.08 119.68 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -74.11 159.97 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.83 86.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 156.58 62.86 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . -111.82 41.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.5 174.18 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.13 113.3 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.525 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -86.76 -36.8 10.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 45.0 mttp -107.6 97.65 20.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.77 155.57 65.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 4.8 mt -65.05 177.91 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -141.85 148.16 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -53.68 141.68 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -117.5 145.74 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -129.61 99.35 5.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 m -127.94 -175.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.02 161.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.79 87.95 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.2 -12.4 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -92.35 179.62 5.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -106.23 149.81 26.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.29 140.06 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -129.79 114.44 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HB3' HD22 ' A' ' 15' ' ' LEU . 11.9 mt -107.43 94.11 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.1 mtt85 -86.55 163.21 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -154.55 -176.82 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -136.28 155.02 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.4 mt -138.42 138.61 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.5 t -61.26 -19.84 62.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.515 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 28.0 ttp180 -139.41 138.74 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -75.64 -175.33 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.79 41.61 20.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.588 HG23 ' OE2' ' A' ' 83' ' ' GLU . 62.9 m -123.21 122.89 26.75 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.591 0.71 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.17 17.2 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.78 150.8 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -110.76 106.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.756 ' CE3' HD22 ' A' ' 65' ' ' LEU . 95.5 m95 -86.03 104.0 15.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 46' ' ' LYS . 7.7 mt -106.89 121.85 45.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.87 ' HB2' HD11 ' A' ' 48' ' ' ILE . 38.5 tttm -107.32 111.42 23.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t70 60.82 45.91 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.48 25.89 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.707 ' O ' HD23 ' A' ' 42' ' ' LEU . 7.3 mmpt? -115.82 177.79 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.2 115.55 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.87 HD11 ' HB2' ' A' ' 43' ' ' LYS . 44.3 mt -87.73 136.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.09 128.66 55.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -46.64 136.3 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 4.3 t -173.65 160.89 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.0 pt20 -35.71 -42.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.53 -52.18 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' HB3' HD11 ' A' ' 65' ' ' LEU . 47.7 m-85 -106.77 86.95 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.2 106.24 7.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.07 107.54 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.521 ' CG2' ' N ' ' A' ' 58' ' ' CYS . 0.2 OUTLIER -120.53 158.0 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 45.8 t -171.11 111.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -111.15 107.19 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.83 -104.59 1.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 35' ' ' ALA . 71.7 p -119.01 42.86 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.8 ttp -147.83 104.97 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.58 137.17 37.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.478 ' HB3' HG13 ' A' ' 57' ' ' VAL . 27.6 ttp -135.3 147.79 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.756 HD22 ' CE3' ' A' ' 41' ' ' TRP . 14.9 tp -131.7 107.33 8.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.0 t -81.52 145.59 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 67' ' ' ILE . 18.4 mt -128.48 76.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -45.94 134.9 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 45.17 81.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.73 100.6 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 m -87.89 173.92 8.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.536 HD23 HG12 ' A' ' 93' ' ' VAL . 28.3 mt -50.22 -35.59 27.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -70.19 -42.39 72.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -40.05 14.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.615 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -45.61 132.6 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.99 -174.87 43.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -98.64 116.77 31.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -100.92 114.37 28.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 87' ' ' SER . 55.5 m -108.03 106.85 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -82.06 78.94 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.488 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 12.6 tt0 -72.81 109.91 6.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.719 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.1 p -87.69 -176.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.719 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -31.45 -59.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.86 -38.73 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.418 ' C ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -81.17 177.02 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 6.1 pttt -165.48 146.11 7.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.856 ' O ' HG23 ' A' ' 79' ' ' THR . 43.8 t -111.63 -177.81 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -160.09 128.66 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -133.01 170.32 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -135.09 107.44 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 75' ' ' ALA . 13.6 tp -80.38 147.38 31.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.526 ' H ' HD12 ' A' ' 91' ' ' LEU . 97.2 m-70 -130.44 136.72 49.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.536 HG12 HD23 ' A' ' 72' ' ' LEU . 93.5 t -138.67 122.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.417 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 33.1 mt-10 -142.71 148.79 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 96' ' ' LYS . 9.2 tt0 -97.7 142.46 29.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 95' ' ' GLU . 43.2 mttp -34.52 125.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.67 101.83 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -123.17 143.52 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 118.97 160.33 11.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.82 63.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -55.21 -48.16 74.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -107.37 176.4 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -96.56 103.56 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -155.14 131.34 10.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.38 -84.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.434 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -100.62 131.03 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -162.62 152.32 15.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.91 -156.75 9.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 148.5 65.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' CB ' ' OG1' ' A' ' 37' ' ' THR . . . -83.5 41.48 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.09 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.22 170.09 12.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -95.64 126.29 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.579 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.51 -36.89 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 28.9 mtpt -109.54 104.33 55.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.76 156.4 63.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.337 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 80' ' ' CYS . 5.4 mt -67.55 172.31 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -140.54 143.35 35.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.81 135.59 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -107.69 140.62 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -121.95 96.55 5.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 HG22 ' A' ' 26' ' ' VAL . 10.3 m -126.33 -174.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.41 161.63 22.43 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.579 0.704 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.75 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.55 -9.27 1.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -90.72 176.8 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.66 135.61 46.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG22 HG11 ' A' ' 20' ' ' VAL . 60.8 t -109.92 135.71 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -127.55 103.84 7.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.22 104.02 16.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -98.2 155.94 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p -143.6 -175.76 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -135.22 138.68 43.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.8 mt -122.29 141.29 51.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 26.9 t -68.66 -12.51 61.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.8 123.01 5.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.647 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -65.84 -174.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.63 56.96 15.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.477 HG23 ' HD2' ' A' ' 38' ' ' PRO . 90.4 m -140.81 134.58 14.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.115 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HD2' HG23 ' A' ' 37' ' ' THR . 53.8 Cg_endo -69.8 145.62 57.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG21 ' SG ' ' A' ' 80' ' ' CYS . 3.4 p -123.85 155.8 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.5 101.02 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.933 ' CE3' HD22 ' A' ' 65' ' ' LEU . 96.4 m95 -82.61 108.41 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.6 mt -110.82 121.82 46.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 48' ' ' ILE . 9.0 tttp -110.7 91.68 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 73.71 49.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 61.55 41.17 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -145.69 116.28 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.95 120.95 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 43' ' ' LYS . 63.8 mt -80.64 140.89 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -107.93 114.65 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -43.27 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -150.84 168.34 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' SER . 16.2 pt20 -36.07 -43.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -55.88 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' HB3' HD11 ' A' ' 65' ' ' LEU . 33.8 m-85 -106.68 108.39 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -99.68 101.09 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.69 101.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.21 143.87 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.7 t -150.18 107.76 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -114.43 -74.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -148.36 110.06 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.647 HG23 ' HB2' ' A' ' 35' ' ' ALA . 71.7 p 45.57 26.66 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.5 ttp -144.4 105.4 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.42 117.43 34.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.2 ttp -113.33 134.06 54.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.933 HD22 ' CE3' ' A' ' 41' ' ' TRP . 38.7 tp -116.87 102.62 9.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -78.91 142.68 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.4 mt -127.58 80.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -48.36 137.12 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.37 82.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' PRO . . . -89.91 99.98 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 m -85.66 174.94 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 93' ' ' VAL . 7.5 mt -53.04 -29.71 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HE3' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -71.02 -40.3 71.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.54 -35.55 53.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.38 115.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.64 -165.61 25.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.2 138.94 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -120.22 107.2 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 84.8 m -101.13 109.43 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.432 ' SG ' HG21 ' A' ' 39' ' ' VAL . 1.8 t -88.79 87.94 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -78.26 110.75 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.767 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.1 p -99.42 -179.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.767 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -33.17 -60.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' H ' ' CD ' ' A' ' 83' ' ' GLU . . . -125.15 -42.05 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.1 m -75.57 -178.8 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.7 ttpp -175.22 144.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -117.23 179.01 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.0 m -163.02 128.86 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.48 -177.75 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.0 m -144.87 118.35 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 92' ' ' HIS . 13.8 tp -80.51 144.81 32.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' H ' HD12 ' A' ' 91' ' ' LEU . 83.7 m-70 -127.27 124.55 39.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.415 ' O ' HD23 ' A' ' 72' ' ' LEU . 92.7 t -125.41 114.12 38.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.79 130.93 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -76.98 150.83 35.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -83.02 83.67 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.17 119.75 28.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.7 t -118.78 98.4 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.98 164.16 32.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -27.49 26.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.31 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 t -53.23 -48.35 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.5 m -74.68 -58.44 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -96.22 80.64 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 m -129.32 92.23 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.2 -47.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -90.62 80.18 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -171.7 114.76 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.27 145.57 6.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 151.15 68.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.733 ' HB2' ' HE ' ' A' ' 34' ' ' ARG . . . -110.52 31.05 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.04 170.64 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.496 HD11 ' HB ' ' A' ' 82' ' ' VAL . 24.5 mt -97.85 121.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.524 HD11 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.89 -36.54 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 48.1 mttm -108.94 98.25 28.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.942 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_endo -69.74 158.25 57.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 28' ' ' LEU . 15.9 mt -64.14 176.26 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 28.3 mp0 -140.09 141.09 36.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -51.27 118.03 2.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -92.57 144.21 25.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 10.5 m-90 -126.73 108.36 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.407 HG11 HG22 ' A' ' 26' ' ' VAL . 13.4 m -137.71 -175.99 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.709 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.29 164.04 15.66 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.099 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.76 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.66 -7.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -96.96 171.83 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -95.87 165.27 12.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.495 ' HB ' HD12 ' A' ' 67' ' ' ILE . 95.1 t -139.34 146.01 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.65 117.83 15.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.9 mt -111.66 98.3 7.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -92.56 148.79 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 p -137.8 -177.61 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -136.75 151.37 49.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' C ' HD11 ' A' ' 12' ' ' ILE . 5.2 mt -135.09 140.85 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -59.27 -24.99 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.733 ' HE ' ' HB2' ' A' ' 9' ' ' ALA . 2.6 tmm_? -148.2 141.44 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB2' ' H ' ' A' ' 61' ' ' THR . . . -89.19 136.89 32.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.8 -36.23 2.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -72.13 129.23 88.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.75 54.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.489 HG11 ' HE1' ' A' ' 41' ' ' TRP . 4.2 p -99.37 156.0 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 81' ' ' GLU . 1.8 t-160 -121.18 101.24 7.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.786 ' HB3' HD12 ' A' ' 48' ' ' ILE . 99.0 m95 -88.38 103.9 16.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.34 130.34 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -113.68 105.72 13.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.36 45.38 20.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 69.11 44.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -147.72 127.14 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 111.66 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.786 HD12 ' HB3' ' A' ' 41' ' ' TRP . 78.8 mt -71.43 145.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 mtt85 -120.47 126.26 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.58 112.44 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' GLN . 8.6 t -150.19 167.74 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' SER . 42.3 tt0 -35.35 -35.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -76.31 -56.54 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -101.21 110.75 22.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.49 96.51 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 p -89.77 120.05 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t -107.88 137.03 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 38.2 t -125.35 104.09 8.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -121.99 -177.44 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 61' ' ' THR . . . -38.63 105.25 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.589 ' H ' ' HB2' ' A' ' 35' ' ' ALA . 72.5 p 35.33 44.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.403 ' O ' ' SD ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -153.16 112.18 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -113.97 143.96 43.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.0 ttp -140.08 158.21 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD22 ' CE3' ' A' ' 41' ' ' TRP . 8.1 tp -140.08 113.04 8.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.89 147.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.495 HD12 ' HB ' ' A' ' 26' ' ' VAL . 17.2 mt -129.87 88.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -61.07 136.39 58.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.42 77.7 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HA ' ' CG ' ' A' ' 74' ' ' ASP . . . -88.71 101.32 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.9 m -94.91 173.5 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -46.05 -31.67 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -71.58 -52.91 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.403 ' CG ' ' HA ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -38.18 -34.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -56.4 117.92 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -166.67 26.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -98.67 127.06 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -110.51 102.75 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.1 m -89.28 111.01 21.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -90.73 83.22 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 40' ' ' HIS . 5.7 tm-20 -75.17 140.69 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.7 p -133.57 179.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.744 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -32.95 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.31 -40.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.725 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.4 m -76.98 -176.98 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 8.9 ttpt -175.97 148.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.463 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 8.7 t -123.39 158.83 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.5 m -146.57 127.75 14.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.52 -177.58 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.9 m -145.66 106.51 4.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 75' ' ' ALA . 21.4 tp -71.77 145.2 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.73 126.54 43.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.419 HG13 ' C ' ' A' ' 21' ' ' ALA . 88.7 t -130.27 114.09 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -128.98 142.3 50.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -79.04 165.23 23.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -37.69 126.91 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.83 124.87 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.5 m -162.83 124.5 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.88 152.72 49.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -21.58 33.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t 41.92 48.71 3.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.4 m -128.72 126.39 39.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -78.5 -48.64 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -67.16 -40.73 86.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.79 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.56 -69.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -157.32 136.09 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.8 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -82.17 115.86 21.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.26 -152.49 24.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 155.04 66.85 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.704 2.27 . . . . 0.0 112.333 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' OE2' ' A' ' 83' ' ' GLU . . . -78.51 45.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.49 169.45 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -98.42 126.62 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -101.24 -36.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 78.9 mttt -105.75 96.42 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.78 157.16 61.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.7 mt -66.57 176.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -142.47 154.19 44.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -60.47 127.69 32.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -102.24 150.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -131.71 95.86 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.447 HG21 ' CG2' ' A' ' 26' ' ' VAL . 23.1 m -125.81 -174.89 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.769 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -109.42 165.88 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.769 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.7 91.13 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.9 -4.89 3.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -91.42 168.86 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -103.77 118.06 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' HB ' HD12 ' A' ' 67' ' ' ILE . 90.2 t -93.3 141.23 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.05 111.3 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.746 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.3 mt -103.62 107.61 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -97.16 150.75 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.982 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 27.7 p -137.18 -177.63 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 6.8 tp10 -138.52 142.21 39.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -127.83 136.12 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -60.05 -12.76 8.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -155.39 139.65 16.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -79.35 177.86 8.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.83 -52.78 4.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.559 HG21 ' HG2' ' A' ' 83' ' ' GLU . 52.4 m -60.53 117.8 28.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.557 0.694 . . . . 0.0 111.185 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 173.31 11.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.559 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 3.6 p -121.63 151.67 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.935 ' CE3' HD22 ' A' ' 65' ' ' LEU . 91.5 m95 -85.11 115.87 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.4 mt -117.92 144.13 45.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 48' ' ' ILE . 13.6 tttm -122.33 87.37 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 74.93 43.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 74.69 25.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -119.97 137.19 54.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -73.03 115.93 12.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' C ' ' A' ' 41' ' ' TRP . 39.3 mt -89.43 144.26 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -122.77 136.46 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -55.53 131.58 46.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 p -159.17 -176.95 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -58.84 -17.03 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.61 -51.58 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.453 ' HB3' HD11 ' A' ' 65' ' ' LEU . 49.0 m-85 -105.13 96.28 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.42 114.21 23.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -93.76 101.69 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.92 105.24 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.7 t -101.48 96.38 7.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' THR . 27.1 mt-10 -112.4 -175.03 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -37.51 96.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.591 HG23 ' HB2' ' A' ' 35' ' ' ALA . 45.9 p 42.3 44.12 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 62' ' ' MET . 11.0 tmm? -145.29 106.55 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.982 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -103.66 105.58 15.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 41.4 ttp -104.49 150.92 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.935 HD22 ' CE3' ' A' ' 41' ' ' TRP . 47.6 tp -132.66 99.1 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 t -80.15 126.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.461 HD12 ' HB ' ' A' ' 26' ' ' VAL . 17.9 mt -109.36 79.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' GLY . 11.7 mmt180 -46.96 139.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 35.25 80.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.46 101.01 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.94 164.78 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.541 HD23 HG22 ' A' ' 93' ' ' VAL . 11.2 mt -47.02 -25.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -76.29 -42.18 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.61 -32.6 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.018 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -51.21 122.34 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.09 -162.08 24.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -105.51 123.29 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -103.23 102.08 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.435 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 51.6 m -97.25 111.73 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.91 90.91 8.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -82.27 116.99 22.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.802 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.6 p -108.3 -174.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.802 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -30.31 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.45 -30.24 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.487 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.3 t -82.61 -177.67 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 10.8 ttpp -176.11 147.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -124.23 166.02 16.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.6 m -146.32 138.38 25.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -141.62 -177.26 5.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 111.31 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.0 tp -78.42 132.27 37.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.28 132.37 56.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.018 HG12 ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -140.64 135.06 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -145.16 131.84 19.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.41 168.92 19.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -97.39 41.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 43.38 43.6 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.8 p -103.21 95.24 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.48 146.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 115.01 3.9 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -43.98 154.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.0 t -133.13 95.35 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -119.54 104.6 10.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -71.61 170.74 12.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.91 -55.19 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -38.83 -59.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 65.3 p -116.64 38.84 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.56 96.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 6' ' ' SER . 54.3 Cg_endo -69.68 176.28 6.92 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.721 ' HB3' ' CD ' ' A' ' 83' ' ' GLU . . . -112.65 13.57 19.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.39 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 31' ' ' GLU . 31.3 mt -95.42 111.07 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -83.76 -37.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 49.4 mttt -107.66 93.23 9.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 155.89 64.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.738 2.292 . . . . 0.0 112.336 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 28' ' ' LEU . 3.8 mt -60.49 175.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -144.12 145.07 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.48 123.36 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -101.04 147.54 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.4 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 9.9 m-90 -128.87 98.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.624 HG11 HG22 ' A' ' 26' ' ' VAL . 20.2 m -124.34 -177.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.75 163.08 17.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 111.091 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.4 Cg_endo -69.78 90.58 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.98 -12.79 3.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.38 172.54 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.85 146.25 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.624 HG22 HG11 ' A' ' 20' ' ' VAL . 61.5 t -117.43 141.48 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -127.73 103.36 7.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.6 ' HB3' HD22 ' A' ' 15' ' ' LEU . 7.8 mt -93.11 91.93 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -92.29 154.28 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -148.65 -175.74 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.5 tp10 -129.48 154.27 47.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 31' ' ' GLU . 2.6 mt -141.22 137.71 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -57.36 -18.6 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -139.82 153.6 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' HG22 ' A' ' 61' ' ' THR . . . -94.92 176.81 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.71 31.24 15.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.648 HG23 ' HD2' ' A' ' 38' ' ' PRO . 99.7 m -99.95 138.86 20.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 37' ' ' THR . 53.5 Cg_endo -69.76 145.07 56.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 2.8 p -128.64 161.37 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -132.41 110.84 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.678 ' CE3' HD22 ' A' ' 65' ' ' LEU . 97.8 m95 -91.89 108.75 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.39 126.59 52.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.749 ' HB2' HD11 ' A' ' 48' ' ' ILE . 17.8 tptp -110.13 103.75 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 t70 57.63 45.67 18.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 3.9 mmm180 68.99 43.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -150.68 116.64 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 122.33 10.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 43' ' ' LYS . 49.2 mt -86.18 143.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -107.64 138.79 43.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -63.0 138.97 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.1 p -174.69 166.38 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -41.92 -24.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' SER . 2.5 tppp? -84.62 -52.97 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -107.52 84.73 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.55 109.6 9.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.2 t -89.85 117.49 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.559 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.1 OUTLIER -132.38 157.82 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 43.8 t -164.05 122.34 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -148.43 142.46 25.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.75 54.22 4.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 35' ' ' ALA . 7.6 p 55.88 42.31 29.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ttp -135.01 93.77 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.579 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -87.97 124.6 33.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.559 ' HB3' HG13 ' A' ' 57' ' ' VAL . 36.7 ttp -125.31 148.16 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.678 HD22 ' CE3' ' A' ' 41' ' ' TRP . 40.2 tp -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.66 138.55 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.463 ' O ' HG22 ' A' ' 67' ' ' ILE . 18.9 mt -123.17 74.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.5 mmm-85 -47.17 133.14 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.61 80.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.1 99.86 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.4 m -90.93 170.38 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.875 HD23 HG12 ' A' ' 93' ' ' VAL . 38.8 mt -52.22 -19.41 2.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -81.16 -40.6 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.78 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.6 116.71 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.38 -165.87 27.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -98.43 131.74 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -114.43 100.55 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 38.9 m -92.07 109.99 21.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.463 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 7.1 t -88.61 91.95 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -83.75 123.04 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.704 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -112.33 -174.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.721 ' CD ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -32.47 -58.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -133.24 -33.43 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.453 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -79.41 178.79 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 11.7 ttpp -169.82 149.21 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.1 t -130.38 143.49 50.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.5 m -122.55 141.4 51.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.96 -176.74 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.9 m -146.3 123.11 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -89.66 136.9 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 96.5 m-70 -116.54 138.8 51.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.875 HG12 HD23 ' A' ' 72' ' ' LEU . 45.2 t -140.98 121.42 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.417 ' C ' ' HD3' ' A' ' 22' ' ' PRO . 5.6 mm-40 -143.45 151.34 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -95.67 140.41 30.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -96.82 153.18 18.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.73 109.09 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 m -68.8 88.73 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.22 -165.1 12.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t 74.52 50.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 t -138.72 105.13 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -117.87 -44.42 2.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -75.74 90.22 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.18 105.55 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -158.81 107.82 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -56.2 88.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.28 -168.26 18.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -170.26 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.652 ' HB1' ' OG1' ' A' ' 37' ' ' THR . . . -111.81 24.28 12.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 175.72 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' GLU . 15.1 mt -97.92 122.09 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.535 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -89.48 -35.28 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 17.5 mtpp -110.46 100.96 47.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.696 . . . . 0.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.9 Cg_endo -69.76 156.59 62.96 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 28' ' ' LEU . 48.9 mt -66.46 158.23 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -119.62 174.74 6.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -84.42 143.24 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' HD12 ' A' ' 91' ' ' LEU . 8.4 mp0 -125.26 131.52 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.478 ' NE1' ' CD2' ' A' ' 92' ' ' HIS . 29.9 m-90 -116.46 107.34 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -130.41 -175.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.639 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -103.18 161.93 21.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.7 87.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.339 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.22 -12.24 1.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -92.39 176.44 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -100.23 155.23 17.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.5 t -128.51 137.2 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -125.88 135.06 51.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.9 mt -130.22 97.77 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 13.7 mtp180 -88.61 152.72 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.1 p -139.44 -176.9 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.3 tt0 -140.47 146.56 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.889 HD13 ' HB ' ' A' ' 37' ' ' THR . 4.6 mt -130.11 131.47 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 42.3 t -54.26 -25.07 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -141.96 141.11 32.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.596 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -67.72 -176.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.31 17.78 19.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.889 ' HB ' HD13 ' A' ' 32' ' ' LEU . 53.6 m -95.25 105.19 18.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.573 0.701 . . . . 0.0 111.161 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.84 58.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.594 HG11 ' NE1' ' A' ' 41' ' ' TRP . 3.7 p -109.82 164.64 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.44 ' H ' HG22 ' A' ' 39' ' ' VAL . 2.2 t-160 -129.9 79.45 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.953 ' CE3' HD22 ' A' ' 65' ' ' LEU . 94.4 m95 -61.18 112.57 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mt -113.06 128.24 56.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -113.23 103.92 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 t70 59.38 45.1 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 68.82 42.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -146.41 129.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 118.74 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.884 HD12 ' HB3' ' A' ' 41' ' ' TRP . 76.3 mt -78.93 144.58 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -106.68 164.79 11.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -105.42 112.31 25.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -158.81 -178.43 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -41.17 -36.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' NZ ' HG23 ' A' ' 67' ' ' ILE . 16.7 tptp -73.46 -62.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -103.01 107.95 18.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.03 98.75 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -89.42 117.08 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 57' ' ' VAL . 69.7 t -99.91 81.54 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 33.7 t -91.91 89.48 7.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -116.91 95.08 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.49 -126.19 37.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 35' ' ' ALA . 68.5 p -87.4 37.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 111.105 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.513 ' CE ' ' C ' ' A' ' 63' ' ' ALA . 1.5 tpt -151.45 105.01 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.513 ' C ' ' CE ' ' A' ' 62' ' ' MET . . . -119.72 127.62 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.498 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 64.3 ttp -125.2 169.09 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.953 HD22 ' CE3' ' A' ' 41' ' ' TRP . 29.6 tp -143.76 108.83 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.86 138.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.45 HG23 ' NZ ' ' A' ' 53' ' ' LYS . 25.4 mt -122.51 95.95 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -63.58 133.7 54.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.08 78.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 101.88 12.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.8 m -88.76 171.97 9.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.489 HD23 HG12 ' A' ' 93' ' ' VAL . 45.0 mt -49.81 -38.82 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -70.37 -46.53 63.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -44.53 -33.7 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.95 117.55 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -158.36 -157.2 8.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.97 114.55 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -96.97 111.35 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 87' ' ' SER . 61.4 m -104.27 107.97 19.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.57 ' SG ' ' CE3' ' A' ' 41' ' ' TRP . 1.5 m -87.31 83.48 7.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.503 ' HA ' ' CB ' ' A' ' 86' ' ' LYS . 7.1 tt0 -75.99 121.0 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.745 HG22 ' H ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -102.06 -175.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.745 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -30.03 -68.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.76 -28.58 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.442 ' C ' HG12 ' A' ' 82' ' ' VAL . 2.1 t -88.29 -177.96 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 11.7 pttp -174.67 142.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 79' ' ' THR . 42.0 t -110.93 170.16 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.4 m -152.2 133.34 14.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.74 170.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 m -133.92 106.32 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 92' ' ' HIS . 24.0 tp -77.43 150.45 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.71 ' H ' HD12 ' A' ' 91' ' ' LEU . 89.1 m-70 -133.01 137.29 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG12 HD23 ' A' ' 72' ' ' LEU . 80.9 t -137.43 117.86 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -137.36 142.63 41.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.28 138.48 47.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -39.06 134.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.0 -54.31 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.7 p -51.2 164.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 125.06 148.72 7.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -2.69 10.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.65 2.233 . . . . 0.0 112.37 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 t -43.64 135.92 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.6 p -154.24 175.02 14.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -87.01 -46.82 9.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.914 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -174.83 145.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.63 -83.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -106.5 120.46 41.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -69.33 -9.15 52.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.38 -148.65 18.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.21 22.25 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . -118.45 32.01 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.757 ' HB1' ' OG ' ' A' ' 85' ' ' SER . . . -65.54 167.38 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.6 mt -93.76 116.44 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.549 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -84.96 -35.92 10.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 18.9 mtpt -107.92 101.63 41.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.5 Cg_endo -69.79 156.56 62.97 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.67 -176.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -148.77 177.5 9.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.09 126.19 34.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -100.8 137.74 38.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.407 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 3.7 m-90 -119.71 97.6 5.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.91 -174.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.71 163.42 17.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.043 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.694 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.76 89.99 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -14.09 1.84 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -89.05 168.25 12.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -100.17 130.22 46.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -100.18 145.76 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -134.48 114.94 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.83 99.54 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -92.98 163.72 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.7 p -152.35 -175.83 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 11' ' ' ILE . 13.1 tt0 -136.75 150.4 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.2 mt -132.95 132.06 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.445 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 28.9 t -56.46 -17.74 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -154.3 141.48 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -83.15 175.05 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.75 33.87 45.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.613 HG21 ' HG2' ' A' ' 83' ' ' GLU . 26.7 m -136.51 116.27 10.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 111.123 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.46 50.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.501 HG11 ' NE1' ' A' ' 41' ' ' TRP . 2.8 p -100.46 162.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -122.41 96.38 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.673 ' HB3' HD12 ' A' ' 48' ' ' ILE . 94.7 m95 -79.26 116.31 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 47' ' ' ALA . 6.7 mt -117.25 120.46 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HB2' HD11 ' A' ' 48' ' ' ILE . 20.6 tttp -102.61 92.52 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 71.65 49.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 62.29 38.74 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -144.21 119.89 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -53.69 126.33 21.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' A' ' 41' ' ' TRP . 57.5 mt -87.32 144.09 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.86 133.33 53.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.82 136.91 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 1.4 t -172.05 161.76 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 12.7 tt0 -38.24 -31.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -77.58 -54.11 6.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -105.5 85.4 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.98 114.72 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.42 112.07 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 64' ' ' MET . 0.2 OUTLIER -127.85 156.87 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 21.5 t -169.32 115.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.89 102.34 10.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.83 -103.34 1.65 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.552 HG23 ' HB2' ' A' ' 35' ' ' ALA . 81.5 p -120.03 41.34 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.745 0.307 . . . . 0.0 111.1 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.2 ttp -143.72 105.16 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -94.23 134.88 36.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.534 ' HB3' HG13 ' A' ' 57' ' ' VAL . 34.1 ttp -131.34 150.5 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.551 HD22 ' CE3' ' A' ' 41' ' ' TRP . 41.1 tp -134.67 103.01 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -78.18 142.1 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 67' ' ' ILE . 18.0 mt -125.39 74.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -44.67 134.83 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.12 81.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.12 100.91 13.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -91.9 166.64 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.629 HD23 HG12 ' A' ' 93' ' ' VAL . 40.9 mt -39.64 -37.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -69.12 -46.84 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.53 -43.14 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.9 130.16 9.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.66 -170.19 38.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -98.15 128.75 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -111.26 100.3 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -97.38 111.47 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -91.03 87.03 6.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -78.32 94.93 4.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -84.44 -178.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.794 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -26.83 -72.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.69 -33.8 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.757 ' OG ' ' HB1' ' A' ' 10' ' ' ALA . 20.3 m -78.14 -179.99 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 87' ' ' SER . 8.6 ttpt -175.68 143.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.4 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 4.5 t -124.3 165.81 17.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 m -143.54 135.86 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.64 173.04 11.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.1 p -138.57 113.36 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' H ' ' A' ' 92' ' ' HIS . 23.4 tp -81.72 144.15 31.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.481 ' H ' HD12 ' A' ' 91' ' ' LEU . 81.5 m-70 -124.68 145.04 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 72' ' ' LEU . 55.5 t -144.35 121.72 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -136.96 137.34 39.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -85.87 142.75 28.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -69.35 122.82 19.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.15 137.15 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -102.07 -55.05 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.24 174.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 90.18 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -57.06 160.35 3.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.3 p -121.3 -43.86 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -101.51 82.05 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -110.77 128.33 55.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.38 177.71 42.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -46.24 114.98 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -118.41 139.08 51.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.57 179.05 32.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 153.4 69.28 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 34' ' ' ARG . . . -83.59 33.73 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 85' ' ' SER . . . -57.94 171.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.4 mt -97.99 123.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.5 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -92.0 -35.77 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 3.0 mtpm? -109.63 102.4 49.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_endo -69.75 157.04 61.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 28' ' ' LEU . 80.5 mt -64.28 178.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -146.38 145.38 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.0 127.38 23.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -104.23 135.18 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 10.1 m-90 -121.94 103.08 8.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.44 HG11 HG22 ' A' ' 26' ' ' VAL . 9.3 m -129.0 -174.76 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.31 162.49 19.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.2 Cg_endo -69.74 88.26 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.58 -10.94 2.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -90.89 174.12 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.36 137.79 41.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG11 ' A' ' 20' ' ' VAL . 53.1 t -109.38 136.01 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -126.8 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB3' HD22 ' A' ' 15' ' ' LEU . 8.8 mt -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 27.2 mtm105 -97.16 146.05 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -135.19 -175.51 3.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -138.15 136.68 36.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.6 mt -121.42 134.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' ILE . 14.9 t -56.39 -19.53 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.539 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 16.1 ttm180 -144.7 138.82 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.702 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -82.99 157.66 22.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.69 -48.8 1.02 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.3 m -60.33 119.95 47.33 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.562 0.696 . . . . 0.0 111.118 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 168.93 20.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.561 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 9.8 p -120.97 145.67 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -100.74 96.45 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.698 ' HB3' HD12 ' A' ' 48' ' ' ILE . 96.3 m95 -77.74 112.92 15.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -114.02 118.27 33.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.661 ' HB2' HD11 ' A' ' 48' ' ' ILE . 40.5 tttt -107.39 102.57 11.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 63.43 47.45 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 62.16 45.1 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -149.21 116.99 6.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.23 124.52 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.698 HD12 ' HB3' ' A' ' 41' ' ' TRP . 55.9 mt -87.61 138.47 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' N ' ' HD3' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -111.78 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -51.32 125.23 13.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 52' ' ' GLN . 59.5 p -161.13 171.54 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' SER . 19.4 tt0 -37.7 -43.06 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -67.78 -57.93 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.645 ' HB3' HD11 ' A' ' 65' ' ' LEU . 47.8 m-85 -100.13 117.2 33.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.26 95.24 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.53 107.25 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.445 HG12 ' HG2' ' A' ' 59' ' ' GLU . 60.4 t -107.01 98.21 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.2 t -97.4 90.42 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.445 ' HG2' HG12 ' A' ' 57' ' ' VAL . 74.2 mm-40 -87.93 42.05 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.81 -92.29 1.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 35' ' ' ALA . 73.8 p -103.48 32.69 3.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 111.156 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 ttp -153.31 114.85 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -107.87 110.09 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 50.7 ttp -109.5 128.28 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 54' ' ' TYR . 29.6 tp -111.93 102.7 10.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.14 118.91 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.6 mt -104.6 79.57 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -46.71 140.66 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.72 82.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.14 100.12 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.0 m -89.09 168.71 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.1 mt -43.12 -42.36 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -60.42 -52.05 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.71 -37.7 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.96 119.95 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.44 -167.23 30.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -96.25 133.63 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -116.49 100.32 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 97.9 m -97.46 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.37 90.25 7.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.14 113.91 19.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.822 HG22 ' H ' ' A' ' 83' ' ' GLU . 2.8 p -108.58 -177.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.822 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -29.2 -73.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -118.65 -34.0 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.789 ' O ' HG12 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -81.88 176.48 9.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' A' ' 87' ' ' SER . 6.3 ttpt -175.59 147.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.488 ' N ' ' HG2' ' A' ' 86' ' ' LYS . 19.4 t -122.39 174.58 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.4 m -155.35 132.62 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.82 170.4 15.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -133.95 122.69 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.597 HD12 ' H ' ' A' ' 92' ' ' HIS . 22.5 tp -85.16 146.66 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.597 ' H ' HD12 ' A' ' 91' ' ' LEU . 73.2 m-70 -128.54 133.39 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -134.35 118.29 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.59 132.77 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.82 163.47 28.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -80.33 116.13 20.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.27 89.02 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -148.41 123.59 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.51 164.56 13.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 91.1 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -70.08 119.96 15.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.0 p -128.59 138.26 52.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 m -103.49 -46.72 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -97.35 84.27 3.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.41 169.41 28.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 p -54.94 166.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -156.7 172.81 17.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.38 153.05 12.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 175.26 8.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HB3' HG21 ' A' ' 37' ' ' THR . . . -102.29 16.1 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.28 155.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' GLU . 11.7 mt -93.59 119.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.04 -36.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 46.2 mttm -107.37 95.96 14.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.7 158.82 55.7 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.6 mt -66.4 -177.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 42.9 mp0 -144.42 148.24 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 0.9 OUTLIER -56.6 120.21 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.592 HE21 HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -101.86 137.34 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 29.8 m-90 -120.08 104.07 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.4 m -127.94 -177.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -104.79 162.02 21.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.71 87.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.71 -11.32 1.7 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -91.69 170.4 9.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.811 0.338 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -94.3 143.56 26.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.41 135.49 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -129.57 120.45 25.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.592 HD23 HE21 ' A' ' 18' ' ' GLN . 5.6 mt -116.31 100.43 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -93.59 150.98 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -141.33 -175.09 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.8 tp10 -136.56 150.26 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 61' ' ' THR . 2.2 mt -133.64 143.99 48.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.7 t -57.21 -33.64 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.501 ' C ' HG22 ' A' ' 61' ' ' THR . 5.3 ptm180 -142.69 146.49 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.46 -175.2 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.7 41.03 99.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.466 HG21 ' HB3' ' A' ' 9' ' ' ALA . 98.2 m -141.35 105.06 6.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 146.83 61.29 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.492 ' CG1' ' NE1' ' A' ' 41' ' ' TRP . 6.0 p -102.35 154.78 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.717 ' CE1' HD21 ' A' ' 42' ' ' LEU . 3.7 t-80 -112.03 105.01 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.676 ' CD2' HD22 ' A' ' 65' ' ' LEU . 84.5 m95 -85.84 115.67 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.717 HD21 ' CE1' ' A' ' 40' ' ' HIS . 6.3 mt -118.03 119.26 34.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -98.84 95.04 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.87 53.72 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 64.45 46.4 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -148.84 117.94 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HA ' HD23 ' A' ' 42' ' ' LEU . . . -63.87 122.26 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 41' ' ' TRP . 52.8 mt -84.09 141.69 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -104.13 146.28 28.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 16.0 ttmt -84.03 124.45 31.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 53' ' ' LYS . 20.6 p -163.79 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -38.81 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -81.43 -63.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.41 ' CD2' ' HG3' ' A' ' 53' ' ' LYS . 83.7 m-85 -99.26 112.64 24.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -103.68 100.44 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -98.54 105.23 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -109.13 158.01 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.526 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 52.9 t -157.98 117.78 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -150.69 145.88 26.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.82 62.37 1.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' LEU . 73.3 p 49.48 38.87 15.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 111.166 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.1 ttp -134.82 95.6 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.69 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -98.01 124.3 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.456 ' HB3' HG13 ' A' ' 57' ' ' VAL . 59.7 ttp -128.81 149.49 50.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.676 HD22 ' CD2' ' A' ' 41' ' ' TRP . 18.9 tp -132.89 116.85 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.6 t -96.85 140.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.9 mt -125.4 86.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -50.03 135.02 21.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.89 82.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.24 100.63 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -81.96 167.18 19.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 HG12 ' A' ' 93' ' ' VAL . 37.5 mt -44.08 -38.74 3.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptp? -63.65 -50.13 70.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' LYS . 1.1 m-20 -36.28 -41.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.37 143.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 162.17 178.11 35.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.46 119.8 31.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.94 99.69 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -89.81 110.33 21.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.49 ' SG ' HG21 ' A' ' 39' ' ' VAL . 1.5 m -84.93 81.32 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.53 128.34 35.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.686 HG22 ' H ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -127.87 -174.76 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.686 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -32.21 -72.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.67 -27.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.605 ' O ' HG12 ' A' ' 82' ' ' VAL . 1.4 m -80.69 172.27 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 85' ' ' SER . 26.3 mtmt -162.92 148.51 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 t -140.14 145.03 37.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -127.7 152.32 47.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -154.66 142.34 19.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -104.7 117.98 35.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.1 tp -90.97 133.66 35.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 19' ' ' TRP . 55.9 m-70 -116.71 126.7 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.405 HG12 HD23 ' A' ' 72' ' ' LEU . 60.5 t -127.34 108.96 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -139.9 137.8 35.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -79.03 138.58 38.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -51.25 111.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.29 139.64 47.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -102.5 -57.37 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.99 149.03 4.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.7 52.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.2 t -112.77 80.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.0 m -109.81 152.11 26.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.534 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -96.87 133.39 41.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.89 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -81.25 -52.04 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.38 143.66 7.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' SER . 45.0 m -130.16 173.49 10.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.882 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 22.7 p -36.55 -40.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.78 -156.45 20.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 175.99 7.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.312 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . . . -117.95 31.76 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.23 168.28 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 82' ' ' VAL . 31.7 mt -95.99 126.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -101.87 -35.57 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 98.0 mttt -110.34 98.36 35.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.81 156.4 63.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.7 mt -67.88 176.46 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -141.88 142.9 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -44.31 143.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.52 140.05 51.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.713 ' CE2' ' CD2' ' A' ' 92' ' ' HIS . 11.6 m-90 -126.15 99.53 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG11 HG22 ' A' ' 26' ' ' VAL . 19.2 m -127.94 -175.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.2 161.38 23.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.355 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.38 -8.53 1.64 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -93.01 175.14 6.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -102.73 143.3 32.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG22 HG11 ' A' ' 20' ' ' VAL . 55.5 t -119.29 145.16 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -135.58 118.78 16.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.741 ' HB3' HD22 ' A' ' 15' ' ' LEU . 9.7 mt -111.4 95.8 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -90.31 152.52 21.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 1.5 p -140.82 -179.08 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 tp10 -132.92 140.29 47.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' C ' HD11 ' A' ' 12' ' ' ILE . 1.9 mt -126.39 140.5 52.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -64.44 -11.18 30.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -153.35 132.16 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.722 ' HB2' HG23 ' A' ' 61' ' ' THR . . . -81.26 146.67 30.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.38 -36.73 3.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.647 HG21 ' HG2' ' A' ' 83' ' ' GLU . 60.8 m -68.12 118.61 60.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.723 . . . . 0.0 111.09 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.89 63.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -105.41 147.99 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -106.64 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.517 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 96.3 m95 -87.38 118.83 27.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 46' ' ' LYS . 6.3 mt -119.24 131.95 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.769 ' HB2' HD11 ' A' ' 48' ' ' ILE . 8.9 tttm -114.48 104.69 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 63.64 45.12 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 68.91 26.33 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.617 ' O ' HD23 ' A' ' 42' ' ' LEU . 9.2 ptpt -114.03 159.6 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.28 114.94 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.769 HD11 ' HB2' ' A' ' 43' ' ' LYS . 25.3 mt -90.78 142.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -124.5 131.61 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -50.76 119.22 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -150.3 169.89 20.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -39.29 -39.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -59.9 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.654 ' HB3' HD11 ' A' ' 65' ' ' LEU . 41.1 m-85 -93.73 99.78 12.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 108.42 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.55 110.46 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.59 90.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.7 t -88.88 93.47 9.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' THR . 5.5 mm-40 -105.38 179.16 4.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.38 95.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.722 HG23 ' HB2' ' A' ' 35' ' ' ALA . 41.3 p 48.27 45.35 20.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.333 . . . . 0.0 111.163 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.2 ttp -149.26 106.02 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.592 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . . . -102.19 104.28 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 60.0 ttp -109.02 138.96 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 54' ' ' TYR . 15.6 tp -122.14 106.72 11.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.61 129.23 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 67' ' ' ILE . 16.6 mt -111.87 74.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -44.45 138.2 3.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 40.98 81.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.82 102.09 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.6 m -96.67 169.46 9.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.841 HD23 HG12 ' A' ' 93' ' ' VAL . 42.1 mt -40.01 -38.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -63.24 -54.88 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -40.14 -42.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.95 119.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.43 169.1 41.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.78 128.22 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.77 110.3 22.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 86' ' ' LYS . 88.2 m -103.77 111.6 24.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.517 ' SG ' ' CZ3' ' A' ' 41' ' ' TRP . 1.5 m -88.76 84.11 6.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.37 104.06 4.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.769 HG22 ' H ' ' A' ' 83' ' ' GLU . 3.2 p -93.98 177.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.769 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -29.2 -69.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.97 -38.83 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.693 ' C ' HG12 ' A' ' 82' ' ' VAL . 1.7 m -77.72 -175.87 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 17.7 ttpt -176.27 142.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -114.92 168.35 9.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 m -152.75 124.5 7.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.204 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.12 158.33 44.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.9 t -118.09 132.8 56.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -101.67 138.85 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.713 ' CD2' ' CE2' ' A' ' 19' ' ' TRP . 37.4 m-70 -117.4 142.24 47.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.841 HG12 HD23 ' A' ' 72' ' ' LEU . 72.6 t -140.5 116.87 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -138.75 131.95 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -78.49 142.8 37.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 162.98 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -171.04 166.68 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.1 p -104.08 97.87 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.46 163.53 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -5.33 16.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 m -118.23 90.58 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.9 t -116.51 97.96 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.997 . . . . . . . . 0 0 . 1 stop_ save_