data_2mx4_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 2mx4 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.458 -0.615 0 N-CA-C 111.184 -0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -113.12 130.03 56.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.78 130.01 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -99.27 120.01 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 95.2 t -127.08 130.3 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.58 143.79 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 88.2 mt -119.49 113.21 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -175.449 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 29.2 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 32.3 Cg_exo -59.57 167.8 6.1 Favored 'Trans proline' 0 C--N 1.328 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.213 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -110.03 0.12 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -133.54 14.0 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HB3' ' HB2' ' A' ' 31' ' ' PRO . 21.7 p90 -68.25 159.99 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.4 m -120.96 163.34 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 170.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -177.061 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo . . . . . 0 N--CA 1.457 -0.64 0 N-CA-C 111.177 -0.355 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.55 -26.22 74.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.69 30.66 5.14 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -108.45 130.55 55.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -84.33 145.06 28.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -155.05 155.06 33.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -154.87 140.43 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 N--CA 1.457 -0.649 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.0 -24.86 70.48 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.65 -8.28 28.03 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -67.92 130.05 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.23 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -99.89 112.89 25.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.17 118.87 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.57 127.13 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 175.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 92.8 m-85 -103.0 137.24 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -171.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -104.09 99.66 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.25 168.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 75.2 ttt180 -79.97 89.96 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 178.075 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.209 -0.343 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.8 m -128.13 129.94 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -111.59 130.01 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -93.79 119.64 33.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.8 t -122.77 124.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 141.35 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 mm -123.87 127.18 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.223 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.367 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.792 0.33 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 26.3 Cg_exo -62.9 178.75 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.733 1.622 . . . . 0.0 111.207 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -106.85 0.16 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -138.34 20.0 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -68.88 162.76 25.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.22 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -122.92 166.43 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.152 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo . . . . . 0 N--CA 1.458 -0.577 0 N-CA-C 111.218 -0.339 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.88 78.05 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 19.43 7.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m -96.45 129.85 43.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.89 145.25 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -154.04 164.15 38.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -150.33 173.06 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 177.212 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.228 -0.335 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.63 -25.41 71.59 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.59 -12.27 25.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -66.11 133.95 51.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.49 145.04 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.6 mt -125.0 124.9 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -104.27 125.02 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.91 122.19 43.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -172.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -100.31 98.2 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.166 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -86.91 139.33 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 175.181 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.458 -0.605 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -115.02 125.15 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.09 127.99 52.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -98.63 121.01 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.7 t -124.95 125.0 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.15 141.78 31.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.9 mm -124.32 127.18 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -178.258 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.781 0.324 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 27.2 Cg_exo -62.79 178.69 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.688 1.592 . . . . 0.0 111.267 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -106.9 0.95 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.1 20.05 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -68.71 164.33 21.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -126.1 168.5 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.225 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo . . . . . 0 N--CA 1.459 -0.515 0 N-CA-C 111.158 -0.362 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.81 -25.63 75.08 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.04 38.7 3.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.0 m -116.21 130.14 56.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -82.78 145.32 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.216 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.43 163.84 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.208 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.1 p -150.02 169.64 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 171.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 178.447 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.459 -0.54 0 N-CA-C 111.217 -0.339 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -25.49 70.87 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.25 -7.15 28.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -67.84 131.46 45.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.218 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.97 118.55 36.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -101.85 122.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.06 125.03 55.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -100.34 123.94 45.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -172.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.8 96.83 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -84.35 140.62 31.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 174.439 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 N-CA-C 111.156 -0.363 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -120.94 136.33 54.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.64 159.93 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.28 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.5 m -126.11 124.75 41.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 97.6 t -128.2 131.56 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.09 147.78 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.5 mt -123.33 95.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.3 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.256 -175.388 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.0 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.11 176.52 0.99 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.739 1.626 . . . . 0.0 111.156 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -122.51 -1.49 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -129.61 14.09 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.211 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -71.28 161.02 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.8 m -129.55 157.9 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.21 -177.154 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.457 -0.638 0 N-CA-C 111.163 -0.36 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.9 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.71 37.82 2.5 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -116.71 133.92 55.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.159 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -83.9 143.06 30.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -152.01 155.13 37.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 t -150.34 140.04 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.333 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.459 -0.545 0 N-CA-C 111.164 -0.36 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.91 71.04 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.35 5.8 29.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -81.65 130.06 34.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.8 112.32 24.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.261 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.6 117.8 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.1 mt -94.76 132.21 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 94.6 m-85 -106.86 133.41 51.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -171.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -107.01 99.35 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -84.13 141.7 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.255 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 174.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 N--CA 1.458 -0.613 0 N-CA-C 111.206 -0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -121.04 136.41 54.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.92 160.07 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.214 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -126.38 124.75 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 95.7 t -129.46 132.11 66.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 144.97 25.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 85.8 mt -118.03 108.19 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -176.323 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.349 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HB2' ' HB3' ' A' ' 34' ' ' TYR . 31.4 Cg_exo -60.93 166.9 9.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.654 1.569 . . . . 0.0 111.249 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -108.48 1.09 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.77 22.07 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.436 ' HB3' ' HB2' ' A' ' 31' ' ' PRO . 23.2 p90 -73.37 159.99 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.1 m -120.32 164.35 16.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 169.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -177.154 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo . . . . . 0 N--CA 1.459 -0.556 0 N-CA-C 111.242 -0.33 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.04 -28.36 73.41 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.87 31.43 4.18 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.1 m -109.81 130.76 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.32 . . . . 0.0 111.204 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.44 146.21 28.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -155.48 153.52 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 t -155.38 145.43 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.672 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo . . . . . 0 N--CA 1.457 -0.628 0 N-CA-C 111.183 -0.353 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -25.86 71.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.84 8.54 27.85 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -84.53 130.02 34.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.258 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -96.81 112.63 24.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.78 117.95 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.3 mt -93.52 130.22 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 173.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 96.5 m-85 -106.07 133.6 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -171.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.3 98.19 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 170.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 68.9 ttp85 -84.03 108.74 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 -171.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 170.822 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.458 -0.568 0 N-CA-C 111.188 -0.351 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.2 p -130.2 157.06 43.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -135.86 157.93 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -124.69 119.01 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.2 t -128.16 135.39 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.195 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.49 128.08 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.3 mm -124.96 134.27 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -174.052 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 41.1 tp . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.796 0.332 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 31.2 Cg_exo -62.13 146.56 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.179 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 67.2 m-70 -66.6 153.33 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 169.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.4 m-20 -95.0 149.66 21.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 6.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -157.01 166.73 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -125.03 154.97 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -177.658 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo . . . . . 0 N--CA 1.459 -0.551 0 N-CA-C 111.141 -0.369 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.65 -29.1 74.38 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.23 3.68 25.9 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -88.16 138.42 31.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.4 mp -103.2 161.91 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.239 -174.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -160.33 152.68 20.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t -156.22 146.24 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.227 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.659 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.229 -0.335 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.74 -26.39 71.05 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.78 9.44 26.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.09 124.97 33.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.128 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -90.3 109.94 21.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.85 115.05 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -92.67 127.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.65 104.81 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -82.81 114.67 21.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -60.24 119.94 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -177.703 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.458 -0.577 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -117.52 129.94 56.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -122.56 130.04 52.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.5 m -99.65 120.0 38.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.54 130.89 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.07 147.39 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -124.42 95.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.631 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD12 ' HD2' ' A' ' 31' ' ' PRO . 39.3 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.741 0.305 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD2' HD12 ' A' ' 30' ' ' LEU . 66.4 Cg_endo -70.5 -177.7 2.25 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.723 1.615 . . . . 0.0 111.196 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -123.46 -4.77 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -108.7 37.53 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -109.98 162.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -127.54 169.81 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.833 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo . . . . . 0 N--CA 1.458 -0.57 0 N-CA-C 111.201 -0.346 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.58 -32.03 81.98 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.05 21.05 6.83 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.71 143.21 31.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.228 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.34 160.02 43.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -152.74 133.49 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 172.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo . . . . . 0 N--CA 1.457 -0.624 0 N-CA-C 111.225 -0.336 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -25.26 70.74 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.75 -11.89 25.23 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -65.14 130.16 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.07 113.69 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.1 mt -96.12 119.61 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.5 mt -100.55 126.46 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -101.37 129.11 47.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -102.77 99.98 9.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 172.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -86.8 139.56 30.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 176.342 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo . . . . . 0 N--CA 1.459 -0.547 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -126.01 131.93 52.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -132.14 159.19 39.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -127.7 124.34 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.203 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.97 134.88 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.57 137.09 32.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.196 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.26 165.98 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 -179.689 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.3 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.846 0.355 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.05 136.88 74.95 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.719 1.612 . . . . 0.0 111.233 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 66.2 m-70 -79.98 155.16 27.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 171.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.474 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.5 m-20 -92.02 151.81 20.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 2.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -149.94 165.1 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.7 m -126.62 169.05 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.191 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 0 N--CA 1.459 -0.556 0 N-CA-C 111.201 -0.346 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.32 77.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.85 14.47 11.16 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.6 m -98.72 131.14 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mp -96.46 164.91 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -165.25 150.02 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -155.66 147.8 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.73 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 N--CA 1.457 -0.622 0 N-CA-C 111.153 -0.364 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.59 71.5 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.31 9.88 24.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.7 m -87.4 125.21 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 111.215 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -90.0 110.51 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.211 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -102.92 119.85 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.37 128.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.207 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -108.04 112.68 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 -172.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.5 110.18 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -82.03 117.17 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -177.241 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 N--CA 1.458 -0.574 0 N-CA-C 111.175 -0.356 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -124.9 141.55 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -111.65 119.3 38.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -126.53 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.71 135.06 35.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -130.08 160.74 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.657 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.93 143.18 99.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.741 1.628 . . . . 0.0 111.209 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 70.4 m-70 -69.42 153.97 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 169.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.475 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.0 m-20 -92.6 145.09 24.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 4.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -151.15 165.04 35.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 173.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.0 m -129.8 171.1 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -176.405 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo . . . . . 0 N--CA 1.458 -0.587 0 N-CA-C 111.198 -0.347 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.65 -27.6 73.58 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.56 -9.37 21.96 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.8 m -67.57 135.01 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 0.0 111.229 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -90.31 151.78 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -157.32 155.02 29.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 t -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -179.115 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 N--CA 1.458 -0.605 0 N-CA-C 111.22 -0.339 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.43 70.89 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -9.68 26.29 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.2 m -66.93 130.52 43.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 111.192 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -97.27 113.06 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.215 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.6 116.61 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -95.28 128.99 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -106.34 112.4 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.242 -172.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -83.98 111.0 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -80.0 129.14 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 174.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.457 -0.62 0 N-CA-C 111.248 -0.328 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -115.72 130.1 56.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -116.35 129.54 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.7 m -95.05 116.64 28.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.74 131.24 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.07 134.34 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -134.88 171.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.198 178.754 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.765 0.317 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.02 145.42 99.09 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.651 1.568 . . . . 0.0 111.231 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 65.6 m-70 -71.88 154.15 41.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 72.1 m-20 -92.06 149.44 21.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 4.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -155.38 165.12 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -134.93 174.79 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 178.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo . . . . . 0 N--CA 1.458 -0.585 0 N-CA-C 111.233 -0.333 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.08 -32.21 83.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.57 15.21 8.96 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -86.84 126.79 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.29 142.86 28.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -155.1 165.0 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 t -157.71 137.66 12.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.195 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.243 -178.568 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo . . . . . 0 N--CA 1.458 -0.612 0 N-CA-C 111.192 -0.349 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -25.34 71.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.46 -13.43 23.16 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -67.18 129.98 41.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -97.84 116.96 31.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.6 mt -94.87 121.96 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.85 125.02 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.207 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.81 123.24 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -97.41 105.37 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.242 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -76.75 134.91 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.229 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 166.449 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p -129.96 167.38 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -141.5 129.98 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -93.79 115.02 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.34 124.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.62 138.86 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.264 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.1 pt -134.98 167.03 26.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 176.624 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.74 0.305 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.77 -176.1 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.726 1.618 . . . . 0.0 111.138 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -95.01 9.95 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -120.04 63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -140.07 169.98 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -130.0 175.0 9.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 178.291 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 N--CA 1.457 -0.623 0 N-CA-C 111.217 -0.34 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.59 -27.12 72.28 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.18 16.81 10.75 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.4 m -94.05 121.01 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -85.3 151.2 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.236 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -159.55 150.99 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -144.22 129.88 19.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.285 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.704 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo . . . . . 0 N--CA 1.458 -0.575 0 N-CA-C 111.197 -0.347 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.01 71.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.08 10.95 21.56 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -94.35 129.99 40.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -93.38 114.09 26.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.0 mt -86.28 108.18 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.0 mt -92.29 125.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.22 120.44 39.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -171.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.11 104.99 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -84.07 112.52 20.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 N--CA 1.458 -0.584 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 p -129.19 167.08 18.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -145.62 133.92 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -98.54 117.49 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.27 129.48 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.221 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 137.32 32.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 pt -134.99 164.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 179.287 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.752 0.31 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -53.86 144.74 54.13 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.609 . . . . 0.0 111.226 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -62.26 -17.89 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -168.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -92.14 15.06 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -63.27 159.46 17.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 83.5 m -125.74 167.54 15.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.438 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo . . . . . 0 N--CA 1.458 -0.583 0 N-CA-C 111.142 -0.368 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.96 82.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.53 14.86 10.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.3 m -87.94 129.93 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.5 mt -85.21 146.47 27.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -159.79 160.03 33.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -149.32 130.0 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 172.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.585 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 N--CA 1.457 -0.627 0 N-CA-C 111.171 -0.357 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.62 71.47 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.7 10.22 23.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -91.96 121.49 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.715 0.293 . . . . 0.0 111.182 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -85.14 104.96 15.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.47 105.0 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -88.65 125.66 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -101.23 128.12 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -169.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -95.87 105.03 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -80.07 131.49 35.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 174.294 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.458 -0.59 0 N-CA-C 111.163 -0.36 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.8 m -128.99 139.47 52.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -130.12 161.62 30.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -125.75 124.02 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.222 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -129.89 129.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.78 137.36 32.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.98 165.05 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.755 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 85.8 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 45.9 Cg_exo -52.89 141.02 57.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.622 1.548 . . . . 0.0 111.258 170.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -43.35 -41.27 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -171.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.71 79.58 2.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -140.07 165.1 28.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 172.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -138.46 169.34 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 171.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 N--CA 1.458 -0.575 0 N-CA-C 111.183 -0.353 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.28 -33.02 62.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 33.0 2.32 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.3 m -102.01 133.15 47.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 111.221 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -69.99 142.46 52.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -156.65 160.03 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 169.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -150.55 139.97 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 179.822 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 N--CA 1.458 -0.598 0 N-CA-C 111.146 -0.367 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.19 71.28 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -5.69 26.48 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -73.7 125.0 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -92.3 112.29 24.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -98.23 114.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -91.46 129.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -104.1 132.09 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -169.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.77 104.99 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -79.81 131.2 35.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 174.704 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.458 -0.573 0 N-CA-C 111.134 -0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.3 m -129.75 138.6 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -130.23 134.32 47.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -97.78 122.33 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.26 125.06 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 145.03 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.2 tp -150.35 145.21 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 178.506 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.778 0.323 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -54.73 137.27 74.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.782 1.654 . . . . 0.0 111.159 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 75.7 m-70 -84.58 155.8 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 51.5 p30 -94.85 177.45 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -0.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -165.2 172.15 12.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.89 148.96 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.405 ' HB ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.243 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo . . . . . 0 N--CA 1.459 -0.518 0 N-CA-C 111.184 -0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.91 -25.57 70.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.85 11.09 21.67 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.9 m -85.36 127.68 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 111.266 177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HG ' ' HB ' ' A' ' 36' ' ' THR . 4.5 mp -114.86 144.98 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -160.1 155.04 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -152.08 132.05 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 178.8 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.458 -0.566 0 N-CA-C 111.169 -0.358 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.93 -26.26 71.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.48 8.52 26.65 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -91.21 125.19 35.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -90.73 114.3 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -94.89 119.18 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.8 mm -96.42 124.85 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -101.71 128.89 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -103.56 104.91 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -80.14 115.68 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -175.792 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.189 -0.351 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 157.34 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -150.51 165.56 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -125.11 129.89 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.37 128.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.45 138.5 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 pt -133.88 166.57 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 178.215 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.324 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.42 145.19 22.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.748 1.632 . . . . 0.0 111.2 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -91.08 -0.9 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -171.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -85.07 4.59 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -70.06 160.06 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.5 m -109.15 156.07 20.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -176.602 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.185 -0.352 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.75 -25.1 75.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.97 32.52 4.67 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.8 m -113.58 130.05 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.16 149.57 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -154.35 154.98 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 173.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.4 p -144.57 177.15 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.195 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 176.663 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.458 -0.608 0 N-CA-C 111.231 -0.334 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.08 -26.36 71.41 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.23 14.79 17.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -94.42 130.04 40.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.751 0.31 . . . . 0.0 111.233 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.94 137.55 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -121.57 119.01 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.9 mt -96.28 125.78 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -101.91 106.39 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -173.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -96.6 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 -175.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -82.13 120.13 24.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.213 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 -178.756 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.458 -0.588 0 N-CA-C 111.208 -0.343 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -119.21 125.74 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -112.79 129.99 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.47 135.42 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.36 167.78 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.587 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.811 0.339 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.87 144.97 53.17 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.705 1.604 . . . . 0.0 111.204 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -96.71 -0.97 47.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -170.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -84.85 3.54 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 171.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -74.8 163.07 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 172.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 150.04 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.9 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 179.534 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo . . . . . 0 N--CA 1.459 -0.541 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.17 -28.7 69.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.27 26.43 5.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.9 m -98.29 127.07 44.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.43 143.13 46.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.99 164.94 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 173.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -143.26 166.14 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 177.341 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 N--CA 1.458 -0.584 0 N-CA-C 111.169 -0.358 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -26.41 71.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.55 -4.94 27.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -70.06 130.0 40.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -96.23 117.52 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.46 115.04 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -98.7 129.85 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -107.4 99.47 8.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.07 110.14 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -82.33 117.75 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.622 0 N-CA-C 111.229 -0.335 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -134.95 133.64 39.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -131.23 144.76 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -115.14 126.99 55.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -175.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.0 157.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.79 135.05 40.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -121.03 126.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.232 -174.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.794 0.331 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.01 145.09 25.98 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.633 1.555 . . . . 0.0 111.233 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -93.54 0.36 56.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -84.78 4.8 31.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -71.17 161.29 31.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -114.9 146.17 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.268 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.0 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -178.008 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 N--CA 1.457 -0.628 0 N-CA-C 111.183 -0.353 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.67 73.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.24 37.52 2.47 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.4 m -117.67 128.09 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.259 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.05 143.65 43.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.191 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -151.65 165.0 35.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.1 t -154.65 139.98 17.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.185 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 178.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo . . . . . 0 N--CA 1.459 -0.558 0 N-CA-C 111.25 -0.327 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -26.11 71.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.38 11.11 24.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -94.89 126.08 39.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 111.193 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -89.63 130.03 35.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.08 119.96 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.2 mt -95.03 137.1 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -114.99 94.95 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -174.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.13 111.2 15.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -61.19 124.96 22.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 175.607 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.561 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -127.05 130.02 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -114.5 128.22 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -95.07 115.03 26.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.2 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -124.97 124.95 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.1 140.45 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -129.16 160.02 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -178.292 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mp . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.22 144.51 22.95 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.679 1.586 . . . . 0.0 111.149 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -93.27 2.76 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -171.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -86.74 4.11 42.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 170.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.43 161.6 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -107.13 156.28 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 -178.752 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 N--CA 1.459 -0.541 0 N-CA-C 111.206 -0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.25 70.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.68 4.31 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.0 m -104.3 131.63 51.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.193 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.32 148.25 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -154.93 155.08 33.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 171.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 p -142.13 171.25 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 N--CA 1.458 -0.602 0 N-CA-C 111.225 -0.337 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.22 -25.97 71.36 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.58 -13.69 22.8 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -67.52 129.94 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -94.91 125.18 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.217 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.3 mt -102.44 120.75 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -96.1 126.84 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.95 100.32 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -83.0 109.68 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -69.94 102.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.457 -0.648 0 N-CA-C 111.214 -0.341 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -115.32 128.62 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -113.48 125.7 54.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -93.75 115.06 27.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -125.03 124.99 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 139.1 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 pt -130.01 160.01 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.22 177.789 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.782 0.325 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.6 144.98 31.34 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.678 1.585 . . . . 0.0 111.217 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -94.83 1.02 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -171.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -85.03 4.97 31.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 173.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -69.98 159.95 32.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -115.59 158.03 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -176.716 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 N--CA 1.459 -0.553 0 N-CA-C 111.195 -0.348 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.0 -28.61 73.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.68 33.37 3.33 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -110.59 129.57 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.75 141.26 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.25 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -151.09 164.23 36.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 p -155.0 147.88 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 174.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 -179.449 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo . . . . . 0 N--CA 1.457 -0.656 0 N-CA-C 111.193 -0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.35 71.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.58 -7.81 26.19 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.8 m -70.3 130.02 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -97.15 115.72 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.4 mt -97.45 122.43 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.6 mm -99.63 125.66 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.49 106.56 17.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -89.82 114.97 26.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.237 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -178.361 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.189 -0.35 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -127.45 131.77 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.39 128.98 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.198 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -95.12 115.96 28.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.85 140.09 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.239 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -132.8 170.78 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 -178.766 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.822 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.82 144.94 42.0 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.728 1.619 . . . . 0.0 111.135 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.34 -0.6 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -170.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -84.92 3.69 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 172.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -73.14 163.04 28.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 171.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -114.93 146.29 41.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -178.474 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo . . . . . 0 N--CA 1.458 -0.585 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.28 -25.53 75.38 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.36 34.61 3.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -113.66 127.46 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.76 141.39 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -150.06 161.99 41.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.5 p -150.28 147.36 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -176.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo . . . . . 0 N--CA 1.459 -0.517 0 N-CA-C 111.161 -0.361 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -26.36 71.38 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.74 -13.48 22.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -68.01 130.01 41.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.736 0.303 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -95.75 120.46 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -94.95 119.21 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -95.66 122.37 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -99.17 118.08 35.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.4 103.71 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -71.66 126.22 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -171.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.528 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.458 -0.615 0 N-CA-C 111.184 -0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -113.12 130.03 56.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.78 130.01 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -99.27 120.01 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 95.2 t -127.08 130.3 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.58 143.79 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 88.2 mt -119.49 113.21 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.8 p -116.84 5.0 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -157.66 157.26 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.07 -25.08 66.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.73 71.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -89.97 -21.76 22.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 29.2 tp -62.14 119.61 50.57 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 173.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 32.3 Cg_exo -59.57 167.8 6.1 Favored 'Trans proline' 0 C--N 1.328 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.213 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -110.03 0.12 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -133.54 14.0 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HB3' ' HB2' ' A' ' 31' ' ' PRO . 21.7 p90 -68.25 159.99 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.4 m -120.96 163.34 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 170.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.8 m -135.01 134.05 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.0 -30.74 71.15 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.756 1.638 . . . . 0.0 111.177 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.55 -26.22 74.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.69 30.66 5.14 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -108.45 130.55 55.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -84.33 145.06 28.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -155.05 155.06 33.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -154.87 140.43 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m -114.99 129.06 56.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.13 -28.74 80.49 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.7 1.6 . . . . 0.0 111.222 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.0 -24.86 70.48 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.65 -8.28 28.03 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -67.92 130.05 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.23 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -99.89 112.89 25.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.17 118.87 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.57 127.13 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 175.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 92.8 m-85 -103.0 137.24 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -171.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -104.09 99.66 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.25 168.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 75.2 ttt180 -79.97 89.96 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -83.71 -21.66 32.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -54.16 -55.22 29.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.44 121.08 27.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.5 mt -86.63 -40.27 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -85.05 70.6 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 178.861 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.209 -0.343 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.8 m -128.13 129.94 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -111.59 130.01 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -93.79 119.64 33.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.8 t -122.77 124.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 141.35 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 mm -123.87 127.18 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.223 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.4 p -103.18 -18.04 15.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -160.05 160.78 33.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.06 -21.71 66.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 -24.95 66.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -91.32 -5.05 55.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.301 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt -86.83 149.93 49.25 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 26.3 Cg_exo -62.9 178.75 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.733 1.622 . . . . 0.0 111.207 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -106.85 0.16 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -138.34 20.0 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -68.88 162.76 25.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.22 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -122.92 166.43 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.8 m -135.09 135.06 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -55.02 -31.51 74.91 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.689 1.593 . . . . 0.0 111.218 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.88 78.05 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 19.43 7.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m -96.45 129.85 43.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.89 145.25 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -154.04 164.15 38.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -150.33 173.06 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.3 m -140.4 130.08 24.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -56.46 -30.3 81.51 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.756 1.638 . . . . 0.0 111.228 -175.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.63 -25.41 71.59 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.59 -12.27 25.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -66.11 133.95 51.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.49 145.04 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.6 mt -125.0 124.9 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -104.27 125.02 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.91 122.19 43.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -172.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -100.31 98.2 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.166 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -86.91 139.33 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -49.3 -40.08 33.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -111.86 38.13 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.2 tp -59.65 136.95 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.29 -34.95 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.216 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -76.97 77.94 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.198 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.617 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.458 -0.605 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -115.02 125.15 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.09 127.99 52.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -98.63 121.01 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.7 t -124.95 125.0 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.15 141.78 31.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.9 mm -124.32 127.18 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.2 p -103.69 -16.49 15.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -159.46 160.0 34.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -21.43 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.15 -24.89 65.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.23 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -92.09 -4.99 53.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt -85.61 149.9 52.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 27.2 Cg_exo -62.79 178.69 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.688 1.592 . . . . 0.0 111.267 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -106.9 0.95 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.1 20.05 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -68.71 164.33 21.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -126.1 168.5 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -135.02 136.18 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -55.35 -31.49 77.37 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.648 1.566 . . . . 0.0 111.158 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.81 -25.63 75.08 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.04 38.7 3.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.0 m -116.21 130.14 56.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -82.78 145.32 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.216 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.43 163.84 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.208 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.1 p -150.02 169.64 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 171.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -137.53 131.1 31.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.87 -29.17 80.59 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.714 1.61 . . . . 0.0 111.217 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -25.49 70.87 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.25 -7.15 28.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -67.84 131.46 45.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.218 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.97 118.55 36.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -101.85 122.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.06 125.03 55.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -100.34 123.94 45.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -172.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.8 96.83 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -84.35 140.62 31.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -49.84 -39.97 40.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -110.25 36.75 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 tp -63.19 137.4 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.7 -44.94 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -75.37 83.18 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.258 174.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.396 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 N-CA-C 111.156 -0.363 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -120.94 136.33 54.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.64 159.93 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.28 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.5 m -126.11 124.75 41.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 97.6 t -128.2 131.56 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.09 147.78 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.5 mt -123.33 95.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.3 p -85.55 -14.87 44.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.256 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -155.59 164.3 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.34 -25.35 68.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -28.94 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -95.79 -3.73 45.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.0 tp -73.7 124.01 89.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.241 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.11 176.52 0.99 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.739 1.626 . . . . 0.0 111.156 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -122.51 -1.49 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -129.61 14.09 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.211 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -71.28 161.02 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.8 m -129.55 157.9 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -121.34 131.61 54.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.21 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.09 -31.01 73.26 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.773 1.649 . . . . 0.0 111.163 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.9 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.71 37.82 2.5 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -116.71 133.92 55.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.159 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -83.9 143.06 30.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -152.01 155.13 37.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 t -150.34 140.04 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m -114.55 126.23 54.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -57.04 -28.89 80.8 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.716 1.61 . . . . 0.0 111.164 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.91 71.04 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.35 5.8 29.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -81.65 130.06 34.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.8 112.32 24.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.261 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.6 117.8 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.1 mt -94.76 132.21 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 94.6 m-85 -106.86 133.41 51.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -171.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -107.01 99.35 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -84.13 141.7 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.255 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.05 -40.17 44.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 174.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -111.76 37.99 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.14 134.99 57.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.71 -43.66 94.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -80.58 85.17 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 . . . . . 0 C--O 1.201 -1.486 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.759 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 N--CA 1.458 -0.613 0 N-CA-C 111.206 -0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -121.04 136.41 54.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.92 160.07 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.214 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -126.38 124.75 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 95.7 t -129.46 132.11 66.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 144.97 25.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 85.8 mt -118.03 108.19 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p -106.78 -5.05 18.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -158.19 162.55 37.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -24.08 67.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.2 -31.2 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -93.35 -23.23 18.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.59 119.2 41.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.205 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HB2' ' HB3' ' A' ' 34' ' ' TYR . 31.4 Cg_exo -60.93 166.9 9.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.654 1.569 . . . . 0.0 111.249 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -108.48 1.09 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.77 22.07 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.436 ' HB3' ' HB2' ' A' ' 31' ' ' PRO . 23.2 p90 -73.37 159.99 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.1 m -120.32 164.35 16.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 169.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -135.02 134.28 40.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -55.05 -30.56 70.74 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.675 1.583 . . . . 0.0 111.242 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.04 -28.36 73.41 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.87 31.43 4.18 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.1 m -109.81 130.76 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.32 . . . . 0.0 111.204 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.44 146.21 28.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -155.48 153.52 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 t -155.38 145.43 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.2 m -115.12 128.11 56.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.89 -29.46 81.92 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.775 1.65 . . . . 0.0 111.183 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -25.86 71.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.84 8.54 27.85 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -84.53 130.02 34.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.258 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -96.81 112.63 24.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.78 117.95 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.3 mt -93.52 130.22 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 173.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 96.5 m-85 -106.07 133.6 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -171.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.3 98.19 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 170.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 68.9 ttp85 -84.03 108.74 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 -171.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -93.4 -34.43 13.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 170.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.06 120.82 9.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.4 mt -77.75 142.41 38.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.226 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.6 mt -104.85 154.95 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.02 145.05 53.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.199 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.458 -0.568 0 N-CA-C 111.188 -0.351 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.2 p -130.2 157.06 43.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -135.86 157.93 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -124.69 119.01 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.2 t -128.16 135.39 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.195 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.49 128.08 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.3 mm -124.96 134.27 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p -76.97 -32.19 57.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -165.03 155.44 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.63 67.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -25.34 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.269 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.61 -35.63 20.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 41.1 tp -74.97 119.11 75.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 31.2 Cg_exo -62.13 146.56 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.179 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 67.2 m-70 -66.6 153.33 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 169.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.4 m-20 -95.0 149.66 21.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 6.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -157.01 166.73 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -125.03 154.97 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 m -131.8 139.8 48.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.67 -32.01 81.97 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.661 1.574 . . . . 0.0 111.141 -175.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.65 -29.1 74.38 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.23 3.68 25.9 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -88.16 138.42 31.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.4 mp -103.2 161.91 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.239 -174.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -160.33 152.68 20.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t -156.22 146.24 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.227 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.8 m -114.89 126.63 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.87 -28.84 79.2 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.735 1.624 . . . . 0.0 111.229 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.74 -26.39 71.05 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.78 9.44 26.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.09 124.97 33.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.128 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -90.3 109.94 21.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.85 115.05 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -92.67 127.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -107.65 104.81 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -82.81 114.67 21.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -60.24 119.94 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.38 -29.95 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -109.97 30.7 6.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.4 tp -55.37 121.12 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.24 -42.63 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -85.11 73.84 10.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.199 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -178.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.458 -0.577 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -117.52 129.94 56.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -122.56 130.04 52.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.5 m -99.65 120.0 38.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.54 130.89 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.07 147.39 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -124.42 95.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.5 p -84.53 -19.14 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -155.1 171.19 20.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -24.88 67.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.22 66.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -100.01 5.34 45.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD12 ' HD2' ' A' ' 31' ' ' PRO . 39.3 tp -95.46 116.25 66.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD2' HD12 ' A' ' 30' ' ' LEU . 66.4 Cg_endo -70.5 -177.7 2.25 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.723 1.615 . . . . 0.0 111.196 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -123.46 -4.77 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -108.7 37.53 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -109.98 162.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -127.54 169.81 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.6 m -132.96 134.08 44.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.96 -31.3 73.44 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.698 1.598 . . . . 0.0 111.201 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.58 -32.03 81.98 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.05 21.05 6.83 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.71 143.21 31.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.228 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.34 160.02 43.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -152.74 133.49 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 172.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.9 m -112.33 125.71 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.94 -28.75 79.36 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.708 1.605 . . . . 0.0 111.225 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -25.26 70.74 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.75 -11.89 25.23 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -65.14 130.16 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.07 113.69 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.1 mt -96.12 119.61 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.5 mt -100.55 126.46 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -101.37 129.11 47.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -102.77 99.98 9.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 172.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -86.8 139.56 30.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -50.0 -40.17 43.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -113.07 39.08 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.4 tp -57.44 135.8 56.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.98 -34.54 78.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -81.21 100.54 9.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.264 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -176.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo . . . . . 0 N--CA 1.459 -0.547 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -126.01 131.93 52.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -132.14 159.19 39.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -127.7 124.34 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.203 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.97 134.88 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.57 137.09 32.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.196 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.26 165.98 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.9 p -108.88 -34.68 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -139.37 111.15 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.04 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.206 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -24.07 67.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -93.8 -4.98 49.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.3 tp -73.26 125.69 90.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.05 136.88 74.95 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.719 1.612 . . . . 0.0 111.233 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 66.2 m-70 -79.98 155.16 27.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 171.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.474 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.5 m-20 -92.02 151.81 20.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 2.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -149.94 165.1 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.7 m -126.62 169.05 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.191 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 t -150.02 154.56 38.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.34 -28.66 73.35 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.721 1.614 . . . . 0.0 111.201 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.32 77.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.85 14.47 11.16 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.6 m -98.72 131.14 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mp -96.46 164.91 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -165.25 150.02 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -155.66 147.8 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.0 m -110.82 126.59 54.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -56.23 -29.98 78.14 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.758 1.639 . . . . 0.0 111.153 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.59 71.5 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.31 9.88 24.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.7 m -87.4 125.21 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 111.215 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -90.0 110.51 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.211 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -102.92 119.85 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.37 128.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.207 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -108.04 112.68 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 -172.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.5 110.18 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -82.03 117.17 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.6 -30.99 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -177.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -55.64 -45.34 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.15 155.75 32.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.61 -17.48 61.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -77.2 75.1 3.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.227 177.4 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 N--CA 1.458 -0.574 0 N-CA-C 111.175 -0.356 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -124.9 141.55 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -111.65 119.3 38.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -126.53 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.71 135.06 35.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -130.08 160.74 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m -82.7 -39.94 21.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -164.08 162.1 22.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.96 -32.01 73.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -24.66 67.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -95.55 5.68 50.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 tp -105.79 111.35 64.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.93 143.18 99.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.741 1.628 . . . . 0.0 111.209 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 70.4 m-70 -69.42 153.97 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 169.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.475 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.0 m-20 -92.6 145.09 24.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 4.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -151.15 165.04 35.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 173.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.0 m -129.8 171.1 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -138.06 150.24 46.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . 0.419 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 75.8 Cg_exo -54.97 -31.42 74.08 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.634 1.556 . . . . 0.0 111.198 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.65 -27.6 73.58 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.56 -9.37 21.96 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.8 m -67.57 135.01 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 0.0 111.229 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -90.31 151.78 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -157.32 155.02 29.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 t -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -115.21 129.15 56.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -56.65 -29.61 80.37 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.714 1.61 . . . . 0.0 111.22 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.43 70.89 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -9.68 26.29 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.2 m -66.93 130.52 43.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 111.192 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -97.27 113.06 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.215 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.6 116.61 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -95.28 128.99 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -106.34 112.4 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.242 -172.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -83.98 111.0 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -80.0 129.14 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -49.93 -40.07 42.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -108.58 34.89 3.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 tp -58.53 125.17 22.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.161 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.86 121.22 17.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -82.98 80.36 9.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 . . . . . 0 C--O 1.2 -1.505 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.596 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.457 -0.62 0 N-CA-C 111.248 -0.328 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -115.72 130.1 56.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -116.35 129.54 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.7 m -95.05 116.64 28.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.74 131.24 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.07 134.34 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -134.88 171.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.1 m -78.67 -52.41 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.198 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -163.0 163.59 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.37 72.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.211 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 -25.04 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 173.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -100.54 13.36 34.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 tp -105.45 111.68 64.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.02 145.42 99.09 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.651 1.568 . . . . 0.0 111.231 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 65.6 m-70 -71.88 154.15 41.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 72.1 m-20 -92.06 149.44 21.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 4.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -155.38 165.12 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -134.93 174.79 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t -146.68 150.21 34.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.05 -31.25 74.04 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.754 1.636 . . . . 0.0 111.233 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.08 -32.21 83.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.57 15.21 8.96 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -86.84 126.79 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.29 142.86 28.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -155.1 165.0 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 t -157.71 137.66 12.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.195 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -109.64 127.14 54.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.243 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -56.55 -28.84 76.14 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.764 1.643 . . . . 0.0 111.192 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -25.34 71.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.46 -13.43 23.16 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -67.18 129.98 41.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -97.84 116.96 31.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.6 mt -94.87 121.96 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.85 125.02 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.207 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.81 123.24 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -97.41 105.37 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.242 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -76.75 134.91 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.229 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.47 -40.32 71.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 166.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.93 39.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.261 177.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.5 tp -58.12 123.67 16.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.21 -23.16 35.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -68.77 113.08 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p -129.96 167.38 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -141.5 129.98 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -93.79 115.02 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.34 124.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.62 138.86 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.264 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.1 pt -134.98 167.03 26.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.1 p -100.51 -27.79 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -165.02 160.07 18.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.12 -13.5 60.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 -22.31 65.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -89.43 -3.79 58.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -95.61 159.43 32.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.77 -176.1 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.726 1.618 . . . . 0.0 111.138 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -95.01 9.95 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -120.04 63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -140.07 169.98 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -130.0 175.0 9.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t -150.65 150.01 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.95 -29.89 75.37 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.679 1.586 . . . . 0.0 111.217 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.59 -27.12 72.28 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.18 16.81 10.75 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.4 m -94.05 121.01 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -85.3 151.2 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.236 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -159.55 150.99 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -144.22 129.88 19.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.285 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p -90.12 164.02 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -56.24 -29.83 77.63 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.684 1.589 . . . . 0.0 111.197 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.01 71.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.08 10.95 21.56 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -94.35 129.99 40.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -93.38 114.09 26.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.0 mt -86.28 108.18 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.0 mt -92.29 125.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.22 120.44 39.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -171.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.11 104.99 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -84.07 112.52 20.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -54.6 -39.75 68.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -107.03 34.95 3.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.6 tp -56.19 120.63 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -88.53 -16.06 33.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.2 142.22 55.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -179.803 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 N--CA 1.458 -0.584 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 p -129.19 167.08 18.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -145.62 133.92 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -98.54 117.49 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.27 129.48 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.221 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 137.32 32.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 pt -134.99 164.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.9 m -86.57 -40.07 15.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -162.91 166.87 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.88 -21.47 66.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -20.49 65.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -88.45 -2.49 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt -99.45 149.11 35.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -53.86 144.74 54.13 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.609 . . . . 0.0 111.226 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -62.26 -17.89 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -168.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -92.14 15.06 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -63.27 159.46 17.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 83.5 m -125.74 167.54 15.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 t -149.96 149.25 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -55.01 -30.88 71.95 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.701 1.6 . . . . 0.0 111.142 -176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.96 82.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.53 14.86 10.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.3 m -87.94 129.93 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.5 mt -85.21 146.47 27.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -159.79 160.03 33.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -149.32 130.0 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 172.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -99.7 124.88 45.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.52 -28.39 73.67 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.717 1.611 . . . . 0.0 111.171 -177.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.62 71.47 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.7 10.22 23.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -91.96 121.49 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.715 0.293 . . . . 0.0 111.182 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -85.14 104.96 15.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.47 105.0 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -88.65 125.66 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -101.23 128.12 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -169.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -95.87 105.03 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -80.07 131.49 35.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -48.9 -39.49 26.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 174.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -108.86 32.97 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.86 122.04 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.3 mt -84.96 -14.11 48.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -79.3 103.57 9.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.458 -0.59 0 N-CA-C 111.163 -0.36 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.8 m -128.99 139.47 52.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -130.12 161.62 30.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -125.75 124.02 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.222 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -129.89 129.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.78 137.36 32.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.98 165.05 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m -86.49 -39.94 15.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -161.67 162.04 29.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.54 66.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -20.65 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -86.79 -5.05 59.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 85.8 mt -93.06 141.44 24.08 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 45.9 Cg_exo -52.89 141.02 57.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.622 1.548 . . . . 0.0 111.258 170.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -43.35 -41.27 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -171.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.71 79.58 2.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -140.07 165.1 28.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 172.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -138.46 169.34 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.5 p -121.64 152.58 39.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 171.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . 0.447 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 87.4 Cg_exo -53.0 -31.62 54.24 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.663 1.576 . . . . 0.0 111.183 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.28 -33.02 62.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 33.0 2.32 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.3 m -102.01 133.15 47.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 111.221 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -69.99 142.46 52.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -156.65 160.03 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 169.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -150.55 139.97 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -108.61 125.1 51.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . 0.415 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 46' ' ' TPO . 71.0 Cg_exo -55.92 -29.45 73.12 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.764 1.642 . . . . 0.0 111.146 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.19 71.28 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -5.69 26.48 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -73.7 125.0 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -92.3 112.29 24.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -98.23 114.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -91.46 129.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -104.1 132.09 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -169.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.77 104.99 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -79.81 131.2 35.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -48.16 -39.72 21.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -109.96 33.03 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.2 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.83 120.51 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.66 -25.14 56.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -67.67 110.22 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.233 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.199 -1.584 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.458 -0.573 0 N-CA-C 111.134 -0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.3 m -129.75 138.6 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -130.23 134.32 47.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -97.78 122.33 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.26 125.06 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 145.03 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.2 tp -150.35 145.21 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m -59.53 -57.57 12.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -141.93 160.06 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.23 68.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.78 -22.42 66.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -94.52 5.15 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -175.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.8 mt -96.21 127.66 39.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -54.73 137.27 74.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.782 1.654 . . . . 0.0 111.159 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 75.7 m-70 -84.58 155.8 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 51.5 p30 -94.85 177.45 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -0.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -165.2 172.15 12.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.89 148.96 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.405 ' HB ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 t -147.49 147.24 29.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.243 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.61 -29.31 84.76 Favored 'Trans proline' 0 C--N 1.328 -0.544 0 C-N-CA 121.691 1.594 . . . . 0.0 111.184 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.91 -25.57 70.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.85 11.09 21.67 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.9 m -85.36 127.68 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 111.266 177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HG ' ' HB ' ' A' ' 36' ' ' THR . 4.5 mp -114.86 144.98 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -160.1 155.04 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -152.08 132.05 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -101.59 125.58 48.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -56.46 -28.83 75.31 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.757 1.638 . . . . 0.0 111.169 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.93 -26.26 71.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.48 8.52 26.65 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -91.21 125.19 35.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -90.73 114.3 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -94.89 119.18 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.8 mm -96.42 124.85 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -101.71 128.89 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -103.56 104.91 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -80.14 115.68 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.36 -37.88 80.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -105.34 41.74 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.59 123.96 19.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.93 -23.13 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.99 145.05 52.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 . . . . . 0 C--O 1.199 -1.575 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.189 -0.351 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 157.34 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -150.51 165.56 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -125.11 129.89 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.37 128.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.45 138.5 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 pt -133.88 166.57 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.0 p -113.51 -23.41 9.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -148.88 104.96 3.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.71 -23.32 66.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.18 -22.56 66.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -85.02 -5.22 59.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt -88.29 153.86 51.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.196 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.42 145.19 22.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.748 1.632 . . . . 0.0 111.2 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -91.08 -0.9 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -171.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -85.07 4.59 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -70.06 160.06 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.5 m -109.15 156.07 20.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.6 m -134.05 134.16 42.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -55.46 -29.88 71.01 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.698 1.599 . . . . 0.0 111.185 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.75 -25.1 75.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.97 32.52 4.67 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.8 m -113.58 130.05 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.16 149.57 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -154.35 154.98 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 173.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.4 p -144.57 177.15 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.195 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m -139.93 130.03 25.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.7 -29.96 82.17 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.651 1.567 . . . . 0.0 111.231 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.08 -26.36 71.41 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.23 14.79 17.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -94.42 130.04 40.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.751 0.31 . . . . 0.0 111.233 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.94 137.55 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -121.57 119.01 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.9 mt -96.28 125.78 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -101.91 106.39 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -173.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -96.6 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 -175.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -82.13 120.13 24.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.213 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.6 -29.13 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -63.33 -43.87 96.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.7 mt -93.23 -2.35 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt 54.98 46.68 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.232 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -55.08 135.01 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.25 -178.552 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.458 -0.588 0 N-CA-C 111.208 -0.343 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -119.21 125.74 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -112.79 129.99 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.47 135.42 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.36 167.78 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p -107.25 -27.24 10.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -153.13 112.1 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.03 -23.76 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -20.24 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -87.52 -4.93 58.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.03 161.72 24.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.87 144.97 53.17 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.705 1.604 . . . . 0.0 111.204 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -96.71 -0.97 47.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -170.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -84.85 3.54 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 171.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -74.8 163.07 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 172.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 150.04 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.9 p -112.53 150.02 31.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . 0.423 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 82.1 Cg_exo -53.98 -31.4 63.57 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.683 1.589 . . . . 0.0 111.203 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.17 -28.7 69.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.27 26.43 5.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.9 m -98.29 127.07 44.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.43 143.13 46.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.99 164.94 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 173.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -143.26 166.14 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -135.02 129.9 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -56.36 -29.72 78.2 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.682 1.588 . . . . 0.0 111.169 -176.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -26.41 71.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.55 -4.94 27.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -70.06 130.0 40.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -96.23 117.52 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.46 115.04 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -98.7 129.85 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -107.4 99.47 8.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.07 110.14 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 59' ' ' LEU . 75.7 ttt180 -82.33 117.75 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.67 -39.35 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -108.1 34.77 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 56' ' ' ARG . 33.9 tp -60.0 120.15 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.73 -10.72 20.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -70.06 -34.96 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.201 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -179.632 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.622 0 N-CA-C 111.229 -0.335 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -134.95 133.64 39.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -131.23 144.76 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -115.14 126.99 55.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -175.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.0 157.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.79 135.05 40.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -121.03 126.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.5 p -70.77 -30.01 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.232 -174.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -151.42 94.97 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.21 -15.15 62.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -174.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 -20.77 66.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -85.32 -5.15 59.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.252 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -85.87 155.84 58.37 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.01 145.09 25.98 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.633 1.555 . . . . 0.0 111.233 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -93.54 0.36 56.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -84.78 4.8 31.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -71.17 161.29 31.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -114.9 146.17 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.268 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.0 m -118.02 135.17 54.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.03 -30.86 72.01 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.73 1.62 . . . . 0.0 111.183 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.67 73.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.24 37.52 2.47 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.4 m -117.67 128.09 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.259 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.05 143.65 43.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.191 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -151.65 165.0 35.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.1 t -154.65 139.98 17.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.185 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -111.01 128.58 55.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -56.72 -28.62 76.74 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.624 1.549 . . . . 0.0 111.25 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -26.11 71.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.38 11.11 24.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -94.89 126.08 39.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 111.193 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -89.63 130.03 35.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.08 119.96 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.2 mt -95.03 137.1 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -114.99 94.95 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -174.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.13 111.2 15.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -61.19 124.96 22.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.95 -41.05 70.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -151.1 164.98 35.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.72 120.0 11.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.9 mt -83.89 -24.67 30.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.235 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -83.55 74.97 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 . . . . . 0 C--O 1.201 -1.452 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -179.425 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.561 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -127.05 130.02 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -114.5 128.22 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -95.07 115.03 26.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.2 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -124.97 124.95 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.1 140.45 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -129.16 160.02 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.2 p -102.32 -26.92 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -154.16 116.97 4.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.226 -176.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.77 65.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.26 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.0 -22.11 66.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -86.44 -5.55 59.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mp -93.74 146.35 31.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.22 144.51 22.95 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.679 1.586 . . . . 0.0 111.149 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -93.27 2.76 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -171.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -86.74 4.11 42.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 170.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.43 161.6 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -107.13 156.28 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -126.04 149.93 48.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . 0.42 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 76.5 Cg_exo -54.49 -30.0 62.24 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.647 1.565 . . . . 0.0 111.206 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.25 70.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.68 4.31 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.0 m -104.3 131.63 51.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.193 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.32 148.25 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -154.93 155.08 33.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 171.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 p -142.13 171.25 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m -134.98 130.06 35.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.01 -29.79 75.4 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.734 1.622 . . . . 0.0 111.225 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.22 -25.97 71.36 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.58 -13.69 22.8 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -67.52 129.94 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -94.91 125.18 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.217 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.3 mt -102.44 120.75 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -96.1 126.84 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.95 100.32 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -83.0 109.68 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -69.94 102.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.08 -50.72 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -95.05 -171.48 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.215 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.5 mt -95.38 19.31 11.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.222 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.9 mt -86.9 93.38 9.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -89.99 -174.03 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.251 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.457 -0.648 0 N-CA-C 111.214 -0.341 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -115.32 128.62 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -113.48 125.7 54.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -93.75 115.06 27.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -125.03 124.99 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 139.1 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 pt -130.01 160.01 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.9 p -95.81 -25.04 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.22 177.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -166.7 154.92 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.56 -16.97 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.209 176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 -23.45 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.241 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.43 0.25 57.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.6 mt -108.49 155.04 41.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.6 144.98 31.34 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.678 1.585 . . . . 0.0 111.217 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -94.83 1.02 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -171.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -85.03 4.97 31.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 173.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -69.98 159.95 32.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -115.59 158.03 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -130.08 135.37 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.98 -31.15 72.94 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.64 1.56 . . . . 0.0 111.195 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.0 -28.61 73.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.68 33.37 3.33 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -110.59 129.57 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.75 141.26 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.25 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -151.09 164.23 36.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 p -155.0 147.88 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 174.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -115.04 127.08 55.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . 0.404 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 46' ' ' TPO . 71.2 Cg_exo -55.99 -29.8 75.28 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.728 1.618 . . . . 0.0 111.193 -176.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.35 71.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.58 -7.81 26.19 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.8 m -70.3 130.02 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -97.15 115.72 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.4 mt -97.45 122.43 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.6 mm -99.63 125.66 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.49 106.56 17.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -89.82 114.97 26.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.237 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.53 -30.81 68.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -106.82 27.2 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 -175.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.75 121.24 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -90.92 -13.71 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -85.05 93.94 8.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.242 179.326 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.189 -0.35 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -127.45 131.77 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.39 128.98 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.198 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -95.12 115.96 28.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.85 140.09 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.239 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -132.8 170.78 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -97.96 -27.57 14.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -168.85 154.93 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 176.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 -22.32 42.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.93 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -89.79 -3.19 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.193 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -108.37 156.88 37.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.82 144.94 42.0 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.728 1.619 . . . . 0.0 111.135 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.34 -0.6 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -170.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -84.92 3.69 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 172.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -73.14 163.04 28.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 171.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -114.93 146.29 41.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -119.82 134.46 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -55.05 -30.46 70.23 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.646 1.564 . . . . 0.0 111.23 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.28 -25.53 75.38 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.36 34.61 3.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -113.66 127.46 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.76 141.39 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -150.06 161.99 41.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.5 p -150.28 147.36 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -113.9 127.73 56.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TPO . . . . . 0.404 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 46' ' ' TPO . 72.2 Cg_exo -55.93 -29.62 74.0 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 121.701 1.601 . . . . 0.0 111.161 -176.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -26.36 71.38 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.74 -13.48 22.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -68.01 130.01 41.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.736 0.303 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -95.75 120.46 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -94.95 119.21 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -95.66 122.37 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -99.17 118.08 35.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.4 103.71 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -71.66 126.22 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -171.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 59.75 42.68 16.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -129.97 2.8 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.76 122.43 18.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 173.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 99.0 mt -85.0 -21.5 29.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -69.97 144.97 52.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.203 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.773 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.458 -0.615 0 N-CA-C 111.184 -0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -113.12 130.03 56.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.78 130.01 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -99.27 120.01 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.2 t -127.08 130.3 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.58 143.79 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 88.2 mt -119.49 113.21 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -175.449 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 29.2 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 32.3 Cg_exo -59.57 167.8 6.1 Favored 'Trans proline' 0 C--N 1.328 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.213 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -110.03 0.12 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -133.54 14.0 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -68.25 159.99 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.4 m -120.96 163.34 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 170.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -177.061 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo . . . . . 0 N--CA 1.457 -0.64 0 N-CA-C 111.177 -0.355 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.55 -26.22 74.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.69 30.66 5.14 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -108.45 130.55 55.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -84.33 145.06 28.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -155.05 155.06 33.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -154.87 140.43 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 N--CA 1.457 -0.649 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.0 -24.86 70.48 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.65 -8.28 28.03 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -67.92 130.05 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.23 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -99.89 112.89 25.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.17 118.87 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.57 127.13 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 175.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -103.0 137.24 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -171.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -104.09 99.66 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.25 168.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 75.2 ttt180 -79.97 89.96 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 178.075 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.209 -0.343 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.8 m -128.13 129.94 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -111.59 130.01 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -93.79 119.64 33.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.8 t -122.77 124.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 141.35 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 mm -123.87 127.18 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.223 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.367 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.792 0.33 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 26.3 Cg_exo -62.9 178.75 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.733 1.622 . . . . 0.0 111.207 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -106.85 0.16 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -138.34 20.0 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -68.88 162.76 25.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.22 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -122.92 166.43 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.152 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo . . . . . 0 N--CA 1.458 -0.577 0 N-CA-C 111.218 -0.339 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.88 78.05 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 19.43 7.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m -96.45 129.85 43.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.89 145.25 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -154.04 164.15 38.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -150.33 173.06 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 177.212 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.228 -0.335 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.63 -25.41 71.59 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.59 -12.27 25.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -66.11 133.95 51.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.49 145.04 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.6 mt -125.0 124.9 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -104.27 125.02 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.91 122.19 43.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -172.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -100.31 98.2 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.166 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -86.91 139.33 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 175.181 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.458 -0.605 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -115.02 125.15 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.09 127.99 52.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -98.63 121.01 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.7 t -124.95 125.0 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.15 141.78 31.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.9 mm -124.32 127.18 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -178.258 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.781 0.324 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 27.2 Cg_exo -62.79 178.69 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.688 1.592 . . . . 0.0 111.267 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -106.9 0.95 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.1 20.05 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -68.71 164.33 21.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -126.1 168.5 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.225 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo . . . . . 0 N--CA 1.459 -0.515 0 N-CA-C 111.158 -0.362 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.81 -25.63 75.08 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.04 38.7 3.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.0 m -116.21 130.14 56.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -82.78 145.32 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.216 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.43 163.84 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.208 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.1 p -150.02 169.64 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 171.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 178.447 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.459 -0.54 0 N-CA-C 111.217 -0.339 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -25.49 70.87 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.25 -7.15 28.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -67.84 131.46 45.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.218 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.97 118.55 36.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -101.85 122.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.06 125.03 55.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -100.34 123.94 45.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -172.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.8 96.83 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -84.35 140.62 31.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 174.439 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 N-CA-C 111.156 -0.363 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -120.94 136.33 54.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.64 159.93 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.28 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.5 m -126.11 124.75 41.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.2 131.56 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.09 147.78 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.5 mt -123.33 95.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.3 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.256 -175.388 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.0 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.11 176.52 0.99 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.739 1.626 . . . . 0.0 111.156 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -122.51 -1.49 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -129.61 14.09 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.211 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -71.28 161.02 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.8 m -129.55 157.9 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.21 -177.154 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.457 -0.638 0 N-CA-C 111.163 -0.36 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.9 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.71 37.82 2.5 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -116.71 133.92 55.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.159 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -83.9 143.06 30.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -152.01 155.13 37.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 t -150.34 140.04 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.333 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.459 -0.545 0 N-CA-C 111.164 -0.36 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.91 71.04 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.35 5.8 29.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -81.65 130.06 34.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.8 112.32 24.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.261 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.6 117.8 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.1 mt -94.76 132.21 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -106.86 133.41 51.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -171.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -107.01 99.35 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -84.13 141.7 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.255 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 174.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 N--CA 1.458 -0.613 0 N-CA-C 111.206 -0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -121.04 136.41 54.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.92 160.07 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.214 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -126.38 124.75 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -129.46 132.11 66.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 144.97 25.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 85.8 mt -118.03 108.19 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -176.323 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.349 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HB2' ' HB3' ' A' ' 34' ' ' TYR . 31.4 Cg_exo -60.93 166.9 9.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.654 1.569 . . . . 0.0 111.249 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -108.48 1.09 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.77 22.07 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' PRO . 23.2 p90 -73.37 159.99 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.1 m -120.32 164.35 16.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 169.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -177.154 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo . . . . . 0 N--CA 1.459 -0.556 0 N-CA-C 111.242 -0.33 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.04 -28.36 73.41 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.87 31.43 4.18 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.1 m -109.81 130.76 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.32 . . . . 0.0 111.204 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.44 146.21 28.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -155.48 153.52 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 t -155.38 145.43 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.672 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo . . . . . 0 N--CA 1.457 -0.628 0 N-CA-C 111.183 -0.353 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -25.86 71.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.84 8.54 27.85 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -84.53 130.02 34.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.258 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -96.81 112.63 24.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.78 117.95 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.3 mt -93.52 130.22 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 173.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -106.07 133.6 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -171.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.3 98.19 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 170.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 68.9 ttp85 -84.03 108.74 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 -171.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 170.822 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.458 -0.568 0 N-CA-C 111.188 -0.351 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.2 p -130.2 157.06 43.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -135.86 157.93 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -124.69 119.01 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.2 t -128.16 135.39 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.195 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.49 128.08 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.3 mm -124.96 134.27 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -174.052 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 41.1 tp . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.796 0.332 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 31.2 Cg_exo -62.13 146.56 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.179 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 67.2 m-70 -66.6 153.33 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 169.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.502 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.4 m-20 -95.0 149.66 21.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 6.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -157.01 166.73 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -125.03 154.97 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -177.658 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo . . . . . 0 N--CA 1.459 -0.551 0 N-CA-C 111.141 -0.369 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.65 -29.1 74.38 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.23 3.68 25.9 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -88.16 138.42 31.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . 10.4 mp -103.2 161.91 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.239 -174.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -160.33 152.68 20.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t -156.22 146.24 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.227 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.659 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.229 -0.335 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.74 -26.39 71.05 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.78 9.44 26.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.09 124.97 33.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.128 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -90.3 109.94 21.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.85 115.05 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -92.67 127.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . 94.1 m-85 -107.65 104.81 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 -172.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -82.81 114.67 21.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -60.24 119.94 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -177.703 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.458 -0.577 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -117.52 129.94 56.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -122.56 130.04 52.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.5 m -99.65 120.0 38.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.54 130.89 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.07 147.39 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -124.42 95.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.631 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 31' ' ' PRO . 39.3 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.741 0.305 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' HD12 ' A' ' 30' ' ' LEU . 66.4 Cg_endo -70.5 -177.7 2.25 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.723 1.615 . . . . 0.0 111.196 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -123.46 -4.77 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -108.7 37.53 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -109.98 162.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -127.54 169.81 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.833 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo . . . . . 0 N--CA 1.458 -0.57 0 N-CA-C 111.201 -0.346 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.58 -32.03 81.98 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.05 21.05 6.83 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.71 143.21 31.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.228 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.34 160.02 43.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -152.74 133.49 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 172.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo . . . . . 0 N--CA 1.457 -0.624 0 N-CA-C 111.225 -0.336 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -25.26 70.74 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.75 -11.89 25.23 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -65.14 130.16 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.07 113.69 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.1 mt -96.12 119.61 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.5 mt -100.55 126.46 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -101.37 129.11 47.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -102.77 99.98 9.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 172.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -86.8 139.56 30.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 176.342 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo . . . . . 0 N--CA 1.459 -0.547 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -126.01 131.93 52.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -132.14 159.19 39.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -127.7 124.34 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.203 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.97 134.88 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.57 137.09 32.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.196 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.26 165.98 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 -179.689 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.3 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.846 0.355 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.05 136.88 74.95 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.719 1.612 . . . . 0.0 111.233 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 66.2 m-70 -79.98 155.16 27.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 171.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.5 m-20 -92.02 151.81 20.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 2.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -149.94 165.1 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.7 m -126.62 169.05 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.191 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 0 N--CA 1.459 -0.556 0 N-CA-C 111.201 -0.346 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.32 77.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.85 14.47 11.16 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.6 m -98.72 131.14 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mp -96.46 164.91 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -165.25 150.02 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -155.66 147.8 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.73 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 N--CA 1.457 -0.622 0 N-CA-C 111.153 -0.364 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.59 71.5 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.31 9.88 24.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.7 m -87.4 125.21 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 111.215 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -90.0 110.51 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.211 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -102.92 119.85 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.37 128.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.207 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -108.04 112.68 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 -172.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.5 110.18 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -82.03 117.17 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -177.241 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 N--CA 1.458 -0.574 0 N-CA-C 111.175 -0.356 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -124.9 141.55 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -111.65 119.3 38.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -126.53 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.71 135.06 35.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -130.08 160.74 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.657 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.93 143.18 99.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.741 1.628 . . . . 0.0 111.209 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 70.4 m-70 -69.42 153.97 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 169.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.503 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.0 m-20 -92.6 145.09 24.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 4.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -151.15 165.04 35.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 173.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.0 m -129.8 171.1 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -176.405 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo . . . . . 0 N--CA 1.458 -0.587 0 N-CA-C 111.198 -0.347 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.65 -27.6 73.58 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.56 -9.37 21.96 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.8 m -67.57 135.01 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 0.0 111.229 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . 2.2 mm? -90.31 151.78 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -157.32 155.02 29.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 t -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -179.115 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 N--CA 1.458 -0.605 0 N-CA-C 111.22 -0.339 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.43 70.89 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -9.68 26.29 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.2 m -66.93 130.52 43.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 111.192 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -97.27 113.06 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.215 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.6 116.61 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -95.28 128.99 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . 94.0 m-85 -106.34 112.4 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.242 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -83.98 111.0 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -80.0 129.14 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 174.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.457 -0.62 0 N-CA-C 111.248 -0.328 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -115.72 130.1 56.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -116.35 129.54 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.7 m -95.05 116.64 28.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.74 131.24 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.07 134.34 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -134.88 171.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.198 178.754 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.765 0.317 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.02 145.42 99.09 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.651 1.568 . . . . 0.0 111.231 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 65.6 m-70 -71.88 154.15 41.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.503 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 72.1 m-20 -92.06 149.44 21.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 4.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -155.38 165.12 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -134.93 174.79 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 178.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo . . . . . 0 N--CA 1.458 -0.585 0 N-CA-C 111.233 -0.333 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.08 -32.21 83.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.57 15.21 8.96 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -86.84 126.79 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.29 142.86 28.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -155.1 165.0 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 t -157.71 137.66 12.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.195 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.243 -178.568 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo . . . . . 0 N--CA 1.458 -0.612 0 N-CA-C 111.192 -0.349 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -25.34 71.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.46 -13.43 23.16 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -67.18 129.98 41.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -97.84 116.96 31.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.6 mt -94.87 121.96 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.85 125.02 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.207 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.81 123.24 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -97.41 105.37 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.242 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -76.75 134.91 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.229 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 166.449 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p -129.96 167.38 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -141.5 129.98 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -93.79 115.02 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.34 124.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.62 138.86 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.264 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.1 pt -134.98 167.03 26.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 176.624 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.74 0.305 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.77 -176.1 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.726 1.618 . . . . 0.0 111.138 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -95.01 9.95 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -120.04 63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -140.07 169.98 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -130.0 175.0 9.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 178.291 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 N--CA 1.457 -0.623 0 N-CA-C 111.217 -0.34 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.59 -27.12 72.28 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.18 16.81 10.75 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.4 m -94.05 121.01 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -85.3 151.2 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.236 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -159.55 150.99 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -144.22 129.88 19.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.285 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.704 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo . . . . . 0 N--CA 1.458 -0.575 0 N-CA-C 111.197 -0.347 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.01 71.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.08 10.95 21.56 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -94.35 129.99 40.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -93.38 114.09 26.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.0 mt -86.28 108.18 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.0 mt -92.29 125.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.22 120.44 39.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -171.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.11 104.99 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -84.07 112.52 20.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 N--CA 1.458 -0.584 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 p -129.19 167.08 18.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -145.62 133.92 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -98.54 117.49 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.27 129.48 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.221 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 137.32 32.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 pt -134.99 164.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 179.287 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.752 0.31 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -53.86 144.74 54.13 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.609 . . . . 0.0 111.226 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -62.26 -17.89 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -168.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -92.14 15.06 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -63.27 159.46 17.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 83.5 m -125.74 167.54 15.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.438 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo . . . . . 0 N--CA 1.458 -0.583 0 N-CA-C 111.142 -0.368 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.96 82.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.53 14.86 10.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.3 m -87.94 129.93 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.5 mt -85.21 146.47 27.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -159.79 160.03 33.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -149.32 130.0 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 172.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.585 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 N--CA 1.457 -0.627 0 N-CA-C 111.171 -0.357 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.62 71.47 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.7 10.22 23.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -91.96 121.49 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.715 0.293 . . . . 0.0 111.182 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -85.14 104.96 15.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.47 105.0 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -88.65 125.66 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -101.23 128.12 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -169.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -95.87 105.03 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -80.07 131.49 35.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 174.294 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.458 -0.59 0 N-CA-C 111.163 -0.36 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.8 m -128.99 139.47 52.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -130.12 161.62 30.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -125.75 124.02 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.222 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -129.89 129.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.78 137.36 32.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.98 165.05 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.755 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -52.89 141.02 57.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.622 1.548 . . . . 0.0 111.258 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -41.27 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.71 79.58 2.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -140.07 165.1 28.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 172.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -138.46 169.34 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 171.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 N--CA 1.458 -0.575 0 N-CA-C 111.183 -0.353 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.28 -33.02 62.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 33.0 2.32 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.3 m -102.01 133.15 47.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 111.221 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -69.99 142.46 52.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -156.65 160.03 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 169.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -150.55 139.97 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 179.822 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 N--CA 1.458 -0.598 0 N-CA-C 111.146 -0.367 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.19 71.28 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -5.69 26.48 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -73.7 125.0 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -92.3 112.29 24.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -98.23 114.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -91.46 129.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -104.1 132.09 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -169.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.77 104.99 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -79.81 131.2 35.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 174.704 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.458 -0.573 0 N-CA-C 111.134 -0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.3 m -129.75 138.6 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -130.23 134.32 47.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -97.78 122.33 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.26 125.06 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 145.03 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.2 tp -150.35 145.21 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 178.506 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.778 0.323 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -54.73 137.27 74.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.782 1.654 . . . . 0.0 111.159 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 75.7 m-70 -84.58 155.8 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.448 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 51.5 p30 -94.85 177.45 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -0.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -165.2 172.15 12.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.89 148.96 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.412 ' HB ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.243 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo . . . . . 0 N--CA 1.459 -0.518 0 N-CA-C 111.184 -0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.91 -25.57 70.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.85 11.09 21.67 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.9 m -85.36 127.68 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 111.266 177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.412 ' HG ' ' HB ' ' A' ' 36' ' ' THR . 4.5 mp -114.86 144.98 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -160.1 155.04 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -152.08 132.05 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 178.8 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.458 -0.566 0 N-CA-C 111.169 -0.358 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.93 -26.26 71.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.48 8.52 26.65 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -91.21 125.19 35.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -90.73 114.3 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -94.89 119.18 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.8 mm -96.42 124.85 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -101.71 128.89 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -103.56 104.91 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -80.14 115.68 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -175.792 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.189 -0.351 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 157.34 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -150.51 165.56 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -125.11 129.89 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.37 128.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.45 138.5 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' A' ' 56' ' ' ARG . 50.2 pt -133.88 166.57 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 178.215 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.324 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.42 145.19 22.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.748 1.632 . . . . 0.0 111.2 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -91.08 -0.9 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -171.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -85.07 4.59 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -70.06 160.06 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.5 m -109.15 156.07 20.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -176.602 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.185 -0.352 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.75 -25.1 75.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.97 32.52 4.67 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.8 m -113.58 130.05 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.16 149.57 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -154.35 154.98 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 173.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.4 p -144.57 177.15 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.195 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 176.663 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.458 -0.608 0 N-CA-C 111.231 -0.334 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.08 -26.36 71.41 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.23 14.79 17.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -94.42 130.04 40.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.751 0.31 . . . . 0.0 111.233 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.94 137.55 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -121.57 119.01 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.9 mt -96.28 125.78 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -101.91 106.39 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -173.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -96.6 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 -175.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.404 ' HA ' HG13 ' A' ' 24' ' ' ILE . 72.6 ttt180 -82.13 120.13 24.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.213 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 -178.756 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.458 -0.588 0 N-CA-C 111.208 -0.343 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -119.21 125.74 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -112.79 129.99 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.47 135.42 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.36 167.78 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.587 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.811 0.339 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.87 144.97 53.17 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.705 1.604 . . . . 0.0 111.204 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -96.71 -0.97 47.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -170.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -84.85 3.54 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 171.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -74.8 163.07 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 172.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 150.04 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.9 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 179.534 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo . . . . . 0 N--CA 1.459 -0.541 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.17 -28.7 69.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.27 26.43 5.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.9 m -98.29 127.07 44.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.43 143.13 46.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.99 164.94 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 173.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -143.26 166.14 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 177.341 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 N--CA 1.458 -0.584 0 N-CA-C 111.169 -0.358 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -26.41 71.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.55 -4.94 27.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -70.06 130.0 40.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -96.23 117.52 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.46 115.04 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -98.7 129.85 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -107.4 99.47 8.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.07 110.14 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -82.33 117.75 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.622 0 N-CA-C 111.229 -0.335 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -134.95 133.64 39.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -131.23 144.76 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -115.14 126.99 55.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -175.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.0 157.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.79 135.05 40.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -121.03 126.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.232 -174.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.794 0.331 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.01 145.09 25.98 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.633 1.555 . . . . 0.0 111.233 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -93.54 0.36 56.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -84.78 4.8 31.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -71.17 161.29 31.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -114.9 146.17 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.268 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.0 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -178.008 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 N--CA 1.457 -0.628 0 N-CA-C 111.183 -0.353 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.67 73.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.24 37.52 2.47 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.4 m -117.67 128.09 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.259 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.05 143.65 43.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.191 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -151.65 165.0 35.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.1 t -154.65 139.98 17.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.185 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 178.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo . . . . . 0 N--CA 1.459 -0.558 0 N-CA-C 111.25 -0.327 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -26.11 71.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.38 11.11 24.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -94.89 126.08 39.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 111.193 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -89.63 130.03 35.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.08 119.96 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.2 mt -95.03 137.1 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -114.99 94.95 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -174.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.13 111.2 15.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -61.19 124.96 22.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 175.607 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.561 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -127.05 130.02 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -114.5 128.22 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -95.07 115.03 26.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.2 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -124.97 124.95 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.1 140.45 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -129.16 160.02 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -178.292 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mp . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.22 144.51 22.95 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.679 1.586 . . . . 0.0 111.149 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -93.27 2.76 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -171.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -86.74 4.11 42.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 170.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.43 161.6 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -107.13 156.28 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 -178.752 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 N--CA 1.459 -0.541 0 N-CA-C 111.206 -0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.25 70.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.68 4.31 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.0 m -104.3 131.63 51.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.193 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.32 148.25 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -154.93 155.08 33.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 171.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 p -142.13 171.25 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 N--CA 1.458 -0.602 0 N-CA-C 111.225 -0.337 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.22 -25.97 71.36 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.58 -13.69 22.8 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -67.52 129.94 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -94.91 125.18 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.217 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.3 mt -102.44 120.75 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -96.1 126.84 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.95 100.32 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -83.0 109.68 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -69.94 102.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.457 -0.648 0 N-CA-C 111.214 -0.341 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -115.32 128.62 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -113.48 125.7 54.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -93.75 115.06 27.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -125.03 124.99 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 139.1 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 pt -130.01 160.01 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.22 177.789 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.782 0.325 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.6 144.98 31.34 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.678 1.585 . . . . 0.0 111.217 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -94.83 1.02 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -171.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -85.03 4.97 31.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 173.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -69.98 159.95 32.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -115.59 158.03 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -176.716 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 N--CA 1.459 -0.553 0 N-CA-C 111.195 -0.348 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.0 -28.61 73.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.68 33.37 3.33 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -110.59 129.57 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.75 141.26 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.25 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -151.09 164.23 36.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 p -155.0 147.88 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 174.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 -179.449 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo . . . . . 0 N--CA 1.457 -0.656 0 N-CA-C 111.193 -0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.35 71.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.58 -7.81 26.19 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.8 m -70.3 130.02 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -97.15 115.72 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.4 mt -97.45 122.43 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.6 mm -99.63 125.66 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.49 106.56 17.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -89.82 114.97 26.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.237 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -178.361 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.189 -0.35 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -127.45 131.77 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.39 128.98 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.198 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -95.12 115.96 28.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.85 140.09 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.239 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.414 HG13 ' HA ' ' A' ' 56' ' ' ARG . 49.3 pt -132.8 170.78 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 -178.766 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.822 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.82 144.94 42.0 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.728 1.619 . . . . 0.0 111.135 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.34 -0.6 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -170.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -84.92 3.69 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 172.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -73.14 163.04 28.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 171.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -114.93 146.29 41.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -178.474 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo . . . . . 0 N--CA 1.458 -0.585 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.28 -25.53 75.38 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.36 34.61 3.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -113.66 127.46 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.76 141.39 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -150.06 161.99 41.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.5 p -150.28 147.36 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -176.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo . . . . . 0 N--CA 1.459 -0.517 0 N-CA-C 111.161 -0.361 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -26.36 71.38 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.74 -13.48 22.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -68.01 130.01 41.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.736 0.303 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -95.75 120.46 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -94.95 119.21 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -95.66 122.37 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -99.17 118.08 35.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.4 103.71 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HA ' HG13 ' A' ' 24' ' ' ILE . 73.9 ttt180 -71.66 126.22 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -171.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.528 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.458 -0.615 0 N-CA-C 111.184 -0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -113.12 130.03 56.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.78 130.01 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -99.27 120.01 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.2 t -127.08 130.3 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.58 143.79 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 88.2 mt -119.49 113.21 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.8 p -116.84 5.0 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -157.66 157.26 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.07 -25.08 66.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.73 71.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -89.97 -21.76 22.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 29.2 tp -62.14 119.61 50.57 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 173.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 32.3 Cg_exo -59.57 167.8 6.1 Favored 'Trans proline' 0 C--N 1.328 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.213 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -110.03 0.12 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -133.54 14.0 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -68.25 159.99 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.4 m -120.96 163.34 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 170.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.8 m -135.01 134.05 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.0 -30.74 71.15 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.756 1.638 . . . . 0.0 111.177 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.55 -26.22 74.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.69 30.66 5.14 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -108.45 130.55 55.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -84.33 145.06 28.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -155.05 155.06 33.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -154.87 140.43 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m -114.99 129.06 56.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.13 -28.74 80.49 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.7 1.6 . . . . 0.0 111.222 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.0 -24.86 70.48 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.65 -8.28 28.03 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -67.92 130.05 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.23 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -99.89 112.89 25.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.17 118.87 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.57 127.13 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 175.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -103.0 137.24 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -171.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -104.09 99.66 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.25 168.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 75.2 ttt180 -79.97 89.96 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -83.71 -21.66 32.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -54.16 -55.22 29.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.44 121.08 27.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.5 mt -86.63 -40.27 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -85.05 70.6 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 178.861 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.209 -0.343 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.8 m -128.13 129.94 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -111.59 130.01 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -93.79 119.64 33.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.8 t -122.77 124.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 141.35 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 mm -123.87 127.18 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.223 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.4 p -103.18 -18.04 15.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -160.05 160.78 33.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.06 -21.71 66.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 -24.95 66.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -91.32 -5.05 55.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.301 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt -86.83 149.93 49.25 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 26.3 Cg_exo -62.9 178.75 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.733 1.622 . . . . 0.0 111.207 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -106.85 0.16 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -138.34 20.0 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -68.88 162.76 25.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.22 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -122.92 166.43 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.8 m -135.09 135.06 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -55.02 -31.51 74.91 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.689 1.593 . . . . 0.0 111.218 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.88 78.05 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 19.43 7.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m -96.45 129.85 43.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.89 145.25 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -154.04 164.15 38.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -150.33 173.06 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.3 m -140.4 130.08 24.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -56.46 -30.3 81.51 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.756 1.638 . . . . 0.0 111.228 -175.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.63 -25.41 71.59 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.59 -12.27 25.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -66.11 133.95 51.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.49 145.04 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.6 mt -125.0 124.9 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -104.27 125.02 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.91 122.19 43.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -172.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -100.31 98.2 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.166 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -86.91 139.33 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -49.3 -40.08 33.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -111.86 38.13 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.2 tp -59.65 136.95 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.29 -34.95 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.216 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -76.97 77.94 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.198 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.617 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.458 -0.605 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -115.02 125.15 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.09 127.99 52.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -98.63 121.01 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.7 t -124.95 125.0 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.15 141.78 31.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.9 mm -124.32 127.18 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.2 p -103.69 -16.49 15.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -159.46 160.0 34.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -21.43 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.15 -24.89 65.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.23 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -92.09 -4.99 53.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt -85.61 149.9 52.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 27.2 Cg_exo -62.79 178.69 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.688 1.592 . . . . 0.0 111.267 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -106.9 0.95 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.1 20.05 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -68.71 164.33 21.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -126.1 168.5 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -135.02 136.18 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -55.35 -31.49 77.37 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.648 1.566 . . . . 0.0 111.158 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.81 -25.63 75.08 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.04 38.7 3.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.0 m -116.21 130.14 56.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -82.78 145.32 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.216 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.43 163.84 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.208 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.1 p -150.02 169.64 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 171.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -137.53 131.1 31.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.87 -29.17 80.59 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.714 1.61 . . . . 0.0 111.217 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -25.49 70.87 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.25 -7.15 28.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -67.84 131.46 45.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.218 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.97 118.55 36.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -101.85 122.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.06 125.03 55.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -100.34 123.94 45.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -172.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.8 96.83 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -84.35 140.62 31.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -49.84 -39.97 40.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -110.25 36.75 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 tp -63.19 137.4 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.7 -44.94 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -75.37 83.18 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.258 174.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.396 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 N-CA-C 111.156 -0.363 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -120.94 136.33 54.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.64 159.93 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.28 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.5 m -126.11 124.75 41.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.2 131.56 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.09 147.78 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.5 mt -123.33 95.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.3 p -85.55 -14.87 44.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.256 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -155.59 164.3 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.34 -25.35 68.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -28.94 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -95.79 -3.73 45.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.0 tp -73.7 124.01 89.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.241 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.11 176.52 0.99 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.739 1.626 . . . . 0.0 111.156 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -122.51 -1.49 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -129.61 14.09 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.211 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -71.28 161.02 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.8 m -129.55 157.9 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -121.34 131.61 54.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.21 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.09 -31.01 73.26 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.773 1.649 . . . . 0.0 111.163 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.9 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.71 37.82 2.5 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -116.71 133.92 55.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.159 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -83.9 143.06 30.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -152.01 155.13 37.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 t -150.34 140.04 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m -114.55 126.23 54.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -57.04 -28.89 80.8 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.716 1.61 . . . . 0.0 111.164 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.91 71.04 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.35 5.8 29.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -81.65 130.06 34.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.8 112.32 24.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.261 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.6 117.8 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.1 mt -94.76 132.21 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -106.86 133.41 51.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -171.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -107.01 99.35 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -84.13 141.7 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.255 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.05 -40.17 44.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 174.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -111.76 37.99 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.14 134.99 57.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.71 -43.66 94.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -80.58 85.17 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 . . . . . 0 C--O 1.201 -1.486 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.759 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 N--CA 1.458 -0.613 0 N-CA-C 111.206 -0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -121.04 136.41 54.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.92 160.07 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.214 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -126.38 124.75 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -129.46 132.11 66.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 144.97 25.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 85.8 mt -118.03 108.19 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p -106.78 -5.05 18.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -158.19 162.55 37.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -24.08 67.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.2 -31.2 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -93.35 -23.23 18.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.59 119.2 41.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.205 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HB2' ' HB3' ' A' ' 34' ' ' TYR . 31.4 Cg_exo -60.93 166.9 9.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.654 1.569 . . . . 0.0 111.249 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -108.48 1.09 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.77 22.07 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' PRO . 23.2 p90 -73.37 159.99 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.1 m -120.32 164.35 16.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 169.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -135.02 134.28 40.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -55.05 -30.56 70.74 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.675 1.583 . . . . 0.0 111.242 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.04 -28.36 73.41 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.87 31.43 4.18 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.1 m -109.81 130.76 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.32 . . . . 0.0 111.204 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.44 146.21 28.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -155.48 153.52 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 t -155.38 145.43 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.2 m -115.12 128.11 56.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.89 -29.46 81.92 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.775 1.65 . . . . 0.0 111.183 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -25.86 71.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.84 8.54 27.85 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -84.53 130.02 34.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.258 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -96.81 112.63 24.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.78 117.95 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.3 mt -93.52 130.22 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 173.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -106.07 133.6 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -171.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.3 98.19 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 170.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 68.9 ttp85 -84.03 108.74 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 -171.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -93.4 -34.43 13.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 170.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.06 120.82 9.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.4 mt -77.75 142.41 38.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.226 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.6 mt -104.85 154.95 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.02 145.05 53.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.199 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.458 -0.568 0 N-CA-C 111.188 -0.351 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.2 p -130.2 157.06 43.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -135.86 157.93 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -124.69 119.01 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.2 t -128.16 135.39 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.195 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.49 128.08 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.3 mm -124.96 134.27 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p -76.97 -32.19 57.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -165.03 155.44 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.63 67.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -25.34 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.269 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.61 -35.63 20.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 41.1 tp -74.97 119.11 75.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 31.2 Cg_exo -62.13 146.56 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.179 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 67.2 m-70 -66.6 153.33 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 169.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.502 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.4 m-20 -95.0 149.66 21.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 6.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -157.01 166.73 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -125.03 154.97 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 m -131.8 139.8 48.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.67 -32.01 81.97 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.661 1.574 . . . . 0.0 111.141 -175.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.65 -29.1 74.38 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.23 3.68 25.9 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -88.16 138.42 31.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . 10.4 mp -103.2 161.91 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.239 -174.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -160.33 152.68 20.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t -156.22 146.24 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.227 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.8 m -114.89 126.63 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.87 -28.84 79.2 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.735 1.624 . . . . 0.0 111.229 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.74 -26.39 71.05 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.78 9.44 26.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.09 124.97 33.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.128 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -90.3 109.94 21.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.85 115.05 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -92.67 127.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . 94.1 m-85 -107.65 104.81 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 -172.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -82.81 114.67 21.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -60.24 119.94 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.38 -29.95 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -109.97 30.7 6.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.4 tp -55.37 121.12 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.24 -42.63 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -85.11 73.84 10.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.199 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -178.93 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.458 -0.577 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -117.52 129.94 56.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -122.56 130.04 52.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.5 m -99.65 120.0 38.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.54 130.89 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.07 147.39 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -124.42 95.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.5 p -84.53 -19.14 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -155.1 171.19 20.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -24.88 67.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.22 66.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -100.01 5.34 45.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 31' ' ' PRO . 39.3 tp -95.46 116.25 66.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' HD12 ' A' ' 30' ' ' LEU . 66.4 Cg_endo -70.5 -177.7 2.25 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.723 1.615 . . . . 0.0 111.196 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -123.46 -4.77 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -108.7 37.53 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -109.98 162.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -127.54 169.81 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.6 m -132.96 134.08 44.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.96 -31.3 73.44 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.698 1.598 . . . . 0.0 111.201 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.58 -32.03 81.98 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.05 21.05 6.83 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.71 143.21 31.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.228 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.34 160.02 43.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -152.74 133.49 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 172.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.9 m -112.33 125.71 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.94 -28.75 79.36 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.708 1.605 . . . . 0.0 111.225 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -25.26 70.74 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.75 -11.89 25.23 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -65.14 130.16 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.07 113.69 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.1 mt -96.12 119.61 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.5 mt -100.55 126.46 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -101.37 129.11 47.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -102.77 99.98 9.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 172.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -86.8 139.56 30.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -50.0 -40.17 43.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -113.07 39.08 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.4 tp -57.44 135.8 56.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.98 -34.54 78.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -81.21 100.54 9.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.264 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -176.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo . . . . . 0 N--CA 1.459 -0.547 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -126.01 131.93 52.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -132.14 159.19 39.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -127.7 124.34 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.203 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.97 134.88 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.57 137.09 32.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.196 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.26 165.98 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.9 p -108.88 -34.68 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -139.37 111.15 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.04 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.206 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -24.07 67.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -93.8 -4.98 49.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.3 tp -73.26 125.69 90.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.05 136.88 74.95 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.719 1.612 . . . . 0.0 111.233 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 66.2 m-70 -79.98 155.16 27.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 171.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.5 m-20 -92.02 151.81 20.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 2.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -149.94 165.1 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.7 m -126.62 169.05 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.191 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 t -150.02 154.56 38.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.34 -28.66 73.35 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.721 1.614 . . . . 0.0 111.201 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.32 77.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.85 14.47 11.16 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.6 m -98.72 131.14 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mp -96.46 164.91 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -165.25 150.02 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -155.66 147.8 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.0 m -110.82 126.59 54.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -56.23 -29.98 78.14 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.758 1.639 . . . . 0.0 111.153 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.59 71.5 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.31 9.88 24.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.7 m -87.4 125.21 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 111.215 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -90.0 110.51 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.211 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -102.92 119.85 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.37 128.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.207 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -108.04 112.68 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 -172.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.5 110.18 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -82.03 117.17 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.6 -30.99 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -177.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -55.64 -45.34 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.15 155.75 32.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.61 -17.48 61.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -77.2 75.1 3.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.227 177.4 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 N--CA 1.458 -0.574 0 N-CA-C 111.175 -0.356 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -124.9 141.55 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -111.65 119.3 38.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -126.53 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.71 135.06 35.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -130.08 160.74 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m -82.7 -39.94 21.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -164.08 162.1 22.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.96 -32.01 73.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -24.66 67.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -95.55 5.68 50.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 tp -105.79 111.35 64.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.93 143.18 99.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.741 1.628 . . . . 0.0 111.209 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 70.4 m-70 -69.42 153.97 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 169.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.503 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.0 m-20 -92.6 145.09 24.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 4.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -151.15 165.04 35.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 173.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.0 m -129.8 171.1 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -138.06 150.24 46.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TPO . . . . . 0.406 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 75.8 Cg_exo -54.97 -31.42 74.08 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.634 1.556 . . . . 0.0 111.198 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.65 -27.6 73.58 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.56 -9.37 21.96 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.8 m -67.57 135.01 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 0.0 111.229 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . 2.2 mm? -90.31 151.78 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -157.32 155.02 29.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 t -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -115.21 129.15 56.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -56.65 -29.61 80.37 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.714 1.61 . . . . 0.0 111.22 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.43 70.89 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -9.68 26.29 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.2 m -66.93 130.52 43.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 111.192 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -97.27 113.06 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.215 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.6 116.61 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -95.28 128.99 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . 94.0 m-85 -106.34 112.4 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.242 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -83.98 111.0 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -80.0 129.14 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -49.93 -40.07 42.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -108.58 34.89 3.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 tp -58.53 125.17 22.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.161 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.86 121.22 17.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -82.98 80.36 9.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 . . . . . 0 C--O 1.2 -1.505 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.596 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.457 -0.62 0 N-CA-C 111.248 -0.328 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -115.72 130.1 56.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -116.35 129.54 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.7 m -95.05 116.64 28.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.74 131.24 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.07 134.34 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -134.88 171.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.1 m -78.67 -52.41 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.198 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -163.0 163.59 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.37 72.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.211 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 -25.04 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 173.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -100.54 13.36 34.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 tp -105.45 111.68 64.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.02 145.42 99.09 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.651 1.568 . . . . 0.0 111.231 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 65.6 m-70 -71.88 154.15 41.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.503 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 72.1 m-20 -92.06 149.44 21.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 4.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -155.38 165.12 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -134.93 174.79 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t -146.68 150.21 34.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.05 -31.25 74.04 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.754 1.636 . . . . 0.0 111.233 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.08 -32.21 83.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.57 15.21 8.96 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -86.84 126.79 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.29 142.86 28.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -155.1 165.0 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 t -157.71 137.66 12.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.195 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -109.64 127.14 54.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.243 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -56.55 -28.84 76.14 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.764 1.643 . . . . 0.0 111.192 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -25.34 71.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.46 -13.43 23.16 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -67.18 129.98 41.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -97.84 116.96 31.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.6 mt -94.87 121.96 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.85 125.02 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.207 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.81 123.24 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -97.41 105.37 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.242 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -76.75 134.91 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.229 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.47 -40.32 71.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 166.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.93 39.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.261 177.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.5 tp -58.12 123.67 16.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.21 -23.16 35.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -68.77 113.08 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p -129.96 167.38 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -141.5 129.98 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -93.79 115.02 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.34 124.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.62 138.86 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.264 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.1 pt -134.98 167.03 26.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.1 p -100.51 -27.79 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -165.02 160.07 18.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.12 -13.5 60.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 -22.31 65.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -89.43 -3.79 58.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -95.61 159.43 32.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.77 -176.1 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.726 1.618 . . . . 0.0 111.138 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -95.01 9.95 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -120.04 63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -140.07 169.98 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -130.0 175.0 9.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t -150.65 150.01 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.95 -29.89 75.37 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.679 1.586 . . . . 0.0 111.217 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.59 -27.12 72.28 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.18 16.81 10.75 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.4 m -94.05 121.01 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -85.3 151.2 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.236 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -159.55 150.99 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -144.22 129.88 19.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.285 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p -90.12 164.02 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -56.24 -29.83 77.63 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.684 1.589 . . . . 0.0 111.197 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.01 71.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.08 10.95 21.56 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -94.35 129.99 40.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -93.38 114.09 26.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.0 mt -86.28 108.18 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.0 mt -92.29 125.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.22 120.44 39.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -171.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.11 104.99 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -84.07 112.52 20.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -54.6 -39.75 68.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -107.03 34.95 3.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.6 tp -56.19 120.63 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -88.53 -16.06 33.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.2 142.22 55.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -179.803 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 N--CA 1.458 -0.584 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 p -129.19 167.08 18.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -145.62 133.92 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -98.54 117.49 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.27 129.48 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.221 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 137.32 32.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 pt -134.99 164.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.9 m -86.57 -40.07 15.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -162.91 166.87 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.88 -21.47 66.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -20.49 65.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -88.45 -2.49 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt -99.45 149.11 35.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -53.86 144.74 54.13 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.609 . . . . 0.0 111.226 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -62.26 -17.89 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -168.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -92.14 15.06 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -63.27 159.46 17.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 83.5 m -125.74 167.54 15.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 t -149.96 149.25 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -55.01 -30.88 71.95 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.701 1.6 . . . . 0.0 111.142 -176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.96 82.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.53 14.86 10.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.3 m -87.94 129.93 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.5 mt -85.21 146.47 27.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -159.79 160.03 33.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -149.32 130.0 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 172.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -99.7 124.88 45.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.52 -28.39 73.67 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.717 1.611 . . . . 0.0 111.171 -177.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.62 71.47 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.7 10.22 23.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -91.96 121.49 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.715 0.293 . . . . 0.0 111.182 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -85.14 104.96 15.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.47 105.0 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -88.65 125.66 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -101.23 128.12 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -169.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -95.87 105.03 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -80.07 131.49 35.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -48.9 -39.49 26.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 174.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -108.86 32.97 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.86 122.04 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.3 mt -84.96 -14.11 48.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -79.3 103.57 9.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.458 -0.59 0 N-CA-C 111.163 -0.36 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.8 m -128.99 139.47 52.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -130.12 161.62 30.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -125.75 124.02 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.222 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -129.89 129.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.78 137.36 32.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.98 165.05 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m -86.49 -39.94 15.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -161.67 162.04 29.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.54 66.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -20.65 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -86.79 -5.05 59.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -93.06 141.44 24.08 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -52.89 141.02 57.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.622 1.548 . . . . 0.0 111.258 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -41.27 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.71 79.58 2.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -140.07 165.1 28.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 172.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -138.46 169.34 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.5 p -121.64 152.58 39.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 171.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TPO . . . . . 0.431 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 87.4 Cg_exo -53.0 -31.62 54.24 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.663 1.576 . . . . 0.0 111.183 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.28 -33.02 62.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 33.0 2.32 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.3 m -102.01 133.15 47.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 111.221 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -69.99 142.46 52.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -156.65 160.03 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 169.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -150.55 139.97 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -108.61 125.1 51.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TPO . . . . . 0.403 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 46' ' ' TPO . 71.0 Cg_exo -55.92 -29.45 73.12 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.764 1.642 . . . . 0.0 111.146 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.19 71.28 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -5.69 26.48 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -73.7 125.0 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -92.3 112.29 24.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -98.23 114.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -91.46 129.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -104.1 132.09 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -169.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.77 104.99 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -79.81 131.2 35.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -48.16 -39.72 21.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -109.96 33.03 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.2 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.83 120.51 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.66 -25.14 56.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -67.67 110.22 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.233 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.199 -1.584 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.458 -0.573 0 N-CA-C 111.134 -0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.3 m -129.75 138.6 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -130.23 134.32 47.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -97.78 122.33 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.26 125.06 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 145.03 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.2 tp -150.35 145.21 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m -59.53 -57.57 12.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -141.93 160.06 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.23 68.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.78 -22.42 66.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -94.52 5.15 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -175.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.8 mt -96.21 127.66 39.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -54.73 137.27 74.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.782 1.654 . . . . 0.0 111.159 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 75.7 m-70 -84.58 155.8 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.448 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 51.5 p30 -94.85 177.45 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -0.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -165.2 172.15 12.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.89 148.96 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.412 ' HB ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 t -147.49 147.24 29.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.243 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.61 -29.31 84.76 Favored 'Trans proline' 0 C--N 1.328 -0.544 0 C-N-CA 121.691 1.594 . . . . 0.0 111.184 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.91 -25.57 70.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.85 11.09 21.67 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.9 m -85.36 127.68 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 111.266 177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' HG ' ' HB ' ' A' ' 36' ' ' THR . 4.5 mp -114.86 144.98 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -160.1 155.04 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -152.08 132.05 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -101.59 125.58 48.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -56.46 -28.83 75.31 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.757 1.638 . . . . 0.0 111.169 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.93 -26.26 71.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.48 8.52 26.65 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -91.21 125.19 35.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -90.73 114.3 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -94.89 119.18 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.8 mm -96.42 124.85 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -101.71 128.89 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -103.56 104.91 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -80.14 115.68 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.36 -37.88 80.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -105.34 41.74 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.59 123.96 19.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.93 -23.13 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.99 145.05 52.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 . . . . . 0 C--O 1.199 -1.575 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.189 -0.351 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 157.34 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -150.51 165.56 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -125.11 129.89 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.37 128.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.45 138.5 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' A' ' 56' ' ' ARG . 50.2 pt -133.88 166.57 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.0 p -113.51 -23.41 9.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -148.88 104.96 3.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.71 -23.32 66.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.18 -22.56 66.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -85.02 -5.22 59.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt -88.29 153.86 51.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.196 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.42 145.19 22.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.748 1.632 . . . . 0.0 111.2 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -91.08 -0.9 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -171.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -85.07 4.59 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -70.06 160.06 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.5 m -109.15 156.07 20.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.6 m -134.05 134.16 42.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -55.46 -29.88 71.01 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.698 1.599 . . . . 0.0 111.185 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.75 -25.1 75.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.97 32.52 4.67 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.8 m -113.58 130.05 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.16 149.57 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -154.35 154.98 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 173.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.4 p -144.57 177.15 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.195 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m -139.93 130.03 25.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.7 -29.96 82.17 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.651 1.567 . . . . 0.0 111.231 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.08 -26.36 71.41 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.23 14.79 17.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -94.42 130.04 40.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.751 0.31 . . . . 0.0 111.233 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.94 137.55 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -121.57 119.01 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.9 mt -96.28 125.78 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -101.91 106.39 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -173.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -96.6 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 -175.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.404 ' HA ' HG13 ' A' ' 24' ' ' ILE . 72.6 ttt180 -82.13 120.13 24.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.213 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.6 -29.13 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -63.33 -43.87 96.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.7 mt -93.23 -2.35 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt 54.98 46.68 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.232 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -55.08 135.01 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.25 -178.552 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.458 -0.588 0 N-CA-C 111.208 -0.343 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -119.21 125.74 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -112.79 129.99 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.47 135.42 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.36 167.78 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p -107.25 -27.24 10.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -153.13 112.1 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.03 -23.76 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -20.24 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -87.52 -4.93 58.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.03 161.72 24.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.87 144.97 53.17 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.705 1.604 . . . . 0.0 111.204 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -96.71 -0.97 47.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -170.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -84.85 3.54 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 171.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -74.8 163.07 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 172.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 150.04 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.9 p -112.53 150.02 31.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TPO . . . . . 0.41 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 82.1 Cg_exo -53.98 -31.4 63.57 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.683 1.589 . . . . 0.0 111.203 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.17 -28.7 69.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.27 26.43 5.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.9 m -98.29 127.07 44.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.43 143.13 46.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.99 164.94 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 173.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -143.26 166.14 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -135.02 129.9 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -56.36 -29.72 78.2 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.682 1.588 . . . . 0.0 111.169 -176.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -26.41 71.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.55 -4.94 27.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -70.06 130.0 40.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -96.23 117.52 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.46 115.04 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -98.7 129.85 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -107.4 99.47 8.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.07 110.14 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -82.33 117.75 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.67 -39.35 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -108.1 34.77 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.0 120.15 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.73 -10.72 20.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -70.06 -34.96 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.201 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -179.632 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.622 0 N-CA-C 111.229 -0.335 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -134.95 133.64 39.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -131.23 144.76 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -115.14 126.99 55.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -175.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.0 157.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.79 135.05 40.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -121.03 126.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.5 p -70.77 -30.01 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.232 -174.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -151.42 94.97 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.21 -15.15 62.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -174.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 -20.77 66.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -85.32 -5.15 59.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.252 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -85.87 155.84 58.37 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.01 145.09 25.98 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.633 1.555 . . . . 0.0 111.233 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -93.54 0.36 56.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -84.78 4.8 31.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -71.17 161.29 31.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -114.9 146.17 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.268 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.0 m -118.02 135.17 54.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.03 -30.86 72.01 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.73 1.62 . . . . 0.0 111.183 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.67 73.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.24 37.52 2.47 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.4 m -117.67 128.09 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.259 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.05 143.65 43.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.191 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -151.65 165.0 35.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.1 t -154.65 139.98 17.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.185 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -111.01 128.58 55.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -56.72 -28.62 76.74 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.624 1.549 . . . . 0.0 111.25 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -26.11 71.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.38 11.11 24.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -94.89 126.08 39.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 111.193 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -89.63 130.03 35.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.08 119.96 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.2 mt -95.03 137.1 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -114.99 94.95 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -174.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.13 111.2 15.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -61.19 124.96 22.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.95 -41.05 70.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -151.1 164.98 35.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.72 120.0 11.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.9 mt -83.89 -24.67 30.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.235 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -83.55 74.97 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 . . . . . 0 C--O 1.201 -1.452 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -179.425 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.561 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -127.05 130.02 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -114.5 128.22 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -95.07 115.03 26.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.2 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -124.97 124.95 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.1 140.45 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -129.16 160.02 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.2 p -102.32 -26.92 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -154.16 116.97 4.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.226 -176.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.77 65.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.26 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.0 -22.11 66.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -86.44 -5.55 59.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mp -93.74 146.35 31.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 177.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.22 144.51 22.95 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.679 1.586 . . . . 0.0 111.149 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -93.27 2.76 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -171.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -86.74 4.11 42.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 170.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.43 161.6 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -107.13 156.28 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -126.04 149.93 48.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TPO . . . . . 0.407 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 76.5 Cg_exo -54.49 -30.0 62.24 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.647 1.565 . . . . 0.0 111.206 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.25 70.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.68 4.31 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.0 m -104.3 131.63 51.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.193 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.32 148.25 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -154.93 155.08 33.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 171.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 p -142.13 171.25 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m -134.98 130.06 35.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.01 -29.79 75.4 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.734 1.622 . . . . 0.0 111.225 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.22 -25.97 71.36 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.58 -13.69 22.8 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -67.52 129.94 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -94.91 125.18 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.217 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.3 mt -102.44 120.75 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -96.1 126.84 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.95 100.32 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -83.0 109.68 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -69.94 102.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.08 -50.72 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -95.05 -171.48 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.215 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.5 mt -95.38 19.31 11.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.222 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.9 mt -86.9 93.38 9.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -89.99 -174.03 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.251 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.457 -0.648 0 N-CA-C 111.214 -0.341 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -115.32 128.62 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -113.48 125.7 54.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -93.75 115.06 27.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -125.03 124.99 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 139.1 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 pt -130.01 160.01 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.9 p -95.81 -25.04 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.22 177.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -166.7 154.92 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.56 -16.97 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.209 176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 -23.45 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.241 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.43 0.25 57.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.6 mt -108.49 155.04 41.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.6 144.98 31.34 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.678 1.585 . . . . 0.0 111.217 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -94.83 1.02 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -171.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -85.03 4.97 31.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 173.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -69.98 159.95 32.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -115.59 158.03 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -130.08 135.37 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.98 -31.15 72.94 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.64 1.56 . . . . 0.0 111.195 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.0 -28.61 73.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.68 33.37 3.33 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -110.59 129.57 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.75 141.26 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.25 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -151.09 164.23 36.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 p -155.0 147.88 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 174.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -115.04 127.08 55.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.99 -29.8 75.28 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.728 1.618 . . . . 0.0 111.193 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.35 71.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.58 -7.81 26.19 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.8 m -70.3 130.02 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -97.15 115.72 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.4 mt -97.45 122.43 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.6 mm -99.63 125.66 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.49 106.56 17.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -89.82 114.97 26.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.237 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.53 -30.81 68.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -106.82 27.2 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 -175.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.75 121.24 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -90.92 -13.71 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -85.05 93.94 8.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.242 179.326 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.189 -0.35 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -127.45 131.77 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.39 128.98 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.198 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -95.12 115.96 28.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.85 140.09 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.239 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.414 HG13 ' HA ' ' A' ' 56' ' ' ARG . 49.3 pt -132.8 170.78 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -97.96 -27.57 14.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -168.85 154.93 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 176.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 -22.32 42.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.93 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -89.79 -3.19 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.193 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -108.37 156.88 37.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.82 144.94 42.0 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.728 1.619 . . . . 0.0 111.135 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.34 -0.6 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -170.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -84.92 3.69 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 172.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -73.14 163.04 28.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 171.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -114.93 146.29 41.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -119.82 134.46 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -55.05 -30.46 70.23 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.646 1.564 . . . . 0.0 111.23 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.28 -25.53 75.38 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.36 34.61 3.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -113.66 127.46 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.76 141.39 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -150.06 161.99 41.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.5 p -150.28 147.36 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -113.9 127.73 56.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -55.93 -29.62 74.0 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 121.701 1.601 . . . . 0.0 111.161 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -26.36 71.38 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.74 -13.48 22.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -68.01 130.01 41.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.736 0.303 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -95.75 120.46 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -94.95 119.21 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -95.66 122.37 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -99.17 118.08 35.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.4 103.71 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HA ' HG13 ' A' ' 24' ' ' ILE . 73.9 ttt180 -71.66 126.22 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -171.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 59.75 42.68 16.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -129.97 2.8 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.76 122.43 18.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 173.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 99.0 mt -85.0 -21.5 29.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -69.97 144.97 52.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.203 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.773 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.458 -0.615 0 N-CA-C 111.184 -0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -113.12 130.03 56.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.78 130.01 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -99.27 120.01 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.2 t -127.08 130.3 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.58 143.79 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 88.2 mt -119.49 113.21 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -175.449 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 29.2 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 32.3 Cg_exo -59.57 167.8 6.1 Favored 'Trans proline' 0 C--N 1.328 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.213 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -110.03 0.12 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -133.54 14.0 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -68.25 159.99 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.4 m -120.96 163.34 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 170.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -177.061 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo . . . . . 0 N--CA 1.457 -0.64 0 N-CA-C 111.177 -0.355 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.55 -26.22 74.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.69 30.66 5.14 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -108.45 130.55 55.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -84.33 145.06 28.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -155.05 155.06 33.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -154.87 140.43 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 N--CA 1.457 -0.649 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.0 -24.86 70.48 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.65 -8.28 28.03 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -67.92 130.05 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.23 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -99.89 112.89 25.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.17 118.87 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.57 127.13 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 175.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -103.0 137.24 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -171.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -104.09 99.66 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.25 168.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 75.2 ttt180 -79.97 89.96 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 178.075 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.209 -0.343 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.8 m -128.13 129.94 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -111.59 130.01 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -93.79 119.64 33.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.8 t -122.77 124.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 141.35 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 mm -123.87 127.18 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.223 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.367 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.792 0.33 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 26.3 Cg_exo -62.9 178.75 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.733 1.622 . . . . 0.0 111.207 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -106.85 0.16 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -138.34 20.0 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -68.88 162.76 25.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.22 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -122.92 166.43 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.152 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo . . . . . 0 N--CA 1.458 -0.577 0 N-CA-C 111.218 -0.339 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.88 78.05 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 19.43 7.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m -96.45 129.85 43.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.89 145.25 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -154.04 164.15 38.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -150.33 173.06 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 177.212 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.228 -0.335 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.63 -25.41 71.59 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.59 -12.27 25.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -66.11 133.95 51.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.49 145.04 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.6 mt -125.0 124.9 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -104.27 125.02 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.91 122.19 43.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -172.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -100.31 98.2 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.166 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -86.91 139.33 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 175.181 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.458 -0.605 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -115.02 125.15 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.09 127.99 52.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -98.63 121.01 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.7 t -124.95 125.0 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.15 141.78 31.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.9 mm -124.32 127.18 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -178.258 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.781 0.324 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 27.2 Cg_exo -62.79 178.69 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.688 1.592 . . . . 0.0 111.267 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -106.9 0.95 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.1 20.05 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -68.71 164.33 21.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -126.1 168.5 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.225 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo . . . . . 0 N--CA 1.459 -0.515 0 N-CA-C 111.158 -0.362 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.81 -25.63 75.08 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.04 38.7 3.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.0 m -116.21 130.14 56.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -82.78 145.32 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.216 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.43 163.84 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.208 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.1 p -150.02 169.64 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 171.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 178.447 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.459 -0.54 0 N-CA-C 111.217 -0.339 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -25.49 70.87 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.25 -7.15 28.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -67.84 131.46 45.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.218 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.97 118.55 36.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -101.85 122.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.06 125.03 55.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -100.34 123.94 45.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -172.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.8 96.83 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -84.35 140.62 31.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 174.439 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 N-CA-C 111.156 -0.363 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -120.94 136.33 54.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.64 159.93 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.28 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.5 m -126.11 124.75 41.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.2 131.56 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.09 147.78 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.5 mt -123.33 95.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.3 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.256 -175.388 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.0 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.11 176.52 0.99 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.739 1.626 . . . . 0.0 111.156 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -122.51 -1.49 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -129.61 14.09 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.211 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -71.28 161.02 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.8 m -129.55 157.9 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.21 -177.154 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.457 -0.638 0 N-CA-C 111.163 -0.36 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.9 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.71 37.82 2.5 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -116.71 133.92 55.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.159 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -83.9 143.06 30.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -152.01 155.13 37.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 t -150.34 140.04 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.333 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.459 -0.545 0 N-CA-C 111.164 -0.36 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.91 71.04 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.35 5.8 29.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -81.65 130.06 34.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.8 112.32 24.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.261 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.6 117.8 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.1 mt -94.76 132.21 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -106.86 133.41 51.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -171.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -107.01 99.35 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -84.13 141.7 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.255 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 174.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 N--CA 1.458 -0.613 0 N-CA-C 111.206 -0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -121.04 136.41 54.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.92 160.07 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.214 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -126.38 124.75 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -129.46 132.11 66.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 144.97 25.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 85.8 mt -118.03 108.19 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -176.323 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.349 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HB2' ' HB3' ' A' ' 34' ' ' TYR . 31.4 Cg_exo -60.93 166.9 9.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.654 1.569 . . . . 0.0 111.249 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -108.48 1.09 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.77 22.07 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' PRO . 23.2 p90 -73.37 159.99 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.1 m -120.32 164.35 16.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 169.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -177.154 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo . . . . . 0 N--CA 1.459 -0.556 0 N-CA-C 111.242 -0.33 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.04 -28.36 73.41 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.87 31.43 4.18 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.1 m -109.81 130.76 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.32 . . . . 0.0 111.204 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.44 146.21 28.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -155.48 153.52 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 t -155.38 145.43 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.672 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo . . . . . 0 N--CA 1.457 -0.628 0 N-CA-C 111.183 -0.353 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -25.86 71.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.84 8.54 27.85 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -84.53 130.02 34.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.258 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -96.81 112.63 24.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.78 117.95 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.3 mt -93.52 130.22 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 173.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -106.07 133.6 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -171.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.3 98.19 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 170.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 68.9 ttp85 -84.03 108.74 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 -171.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 170.822 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.458 -0.568 0 N-CA-C 111.188 -0.351 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.2 p -130.2 157.06 43.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -135.86 157.93 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -124.69 119.01 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.2 t -128.16 135.39 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.195 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.49 128.08 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.3 mm -124.96 134.27 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -174.052 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 41.1 tp . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.796 0.332 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 31.2 Cg_exo -62.13 146.56 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.179 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 67.2 m-70 -66.6 153.33 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 169.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.502 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.4 m-20 -95.0 149.66 21.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 6.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -157.01 166.73 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -125.03 154.97 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -177.658 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo . . . . . 0 N--CA 1.459 -0.551 0 N-CA-C 111.141 -0.369 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.65 -29.1 74.38 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.23 3.68 25.9 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -88.16 138.42 31.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . 10.4 mp -103.2 161.91 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.239 -174.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -160.33 152.68 20.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t -156.22 146.24 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.227 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.659 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.229 -0.335 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.74 -26.39 71.05 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.78 9.44 26.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.09 124.97 33.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.128 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -90.3 109.94 21.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.85 115.05 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -92.67 127.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . 94.1 m-85 -107.65 104.81 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 -172.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -82.81 114.67 21.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -60.24 119.94 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -177.703 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.458 -0.577 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -117.52 129.94 56.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -122.56 130.04 52.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.5 m -99.65 120.0 38.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.54 130.89 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.07 147.39 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -124.42 95.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.631 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 31' ' ' PRO . 39.3 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.741 0.305 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' HD12 ' A' ' 30' ' ' LEU . 66.4 Cg_endo -70.5 -177.7 2.25 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.723 1.615 . . . . 0.0 111.196 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -123.46 -4.77 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -108.7 37.53 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -109.98 162.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -127.54 169.81 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.833 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo . . . . . 0 N--CA 1.458 -0.57 0 N-CA-C 111.201 -0.346 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.58 -32.03 81.98 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.05 21.05 6.83 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.71 143.21 31.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.228 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.34 160.02 43.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -152.74 133.49 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 172.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo . . . . . 0 N--CA 1.457 -0.624 0 N-CA-C 111.225 -0.336 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -25.26 70.74 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.75 -11.89 25.23 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -65.14 130.16 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.07 113.69 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.1 mt -96.12 119.61 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.5 mt -100.55 126.46 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -101.37 129.11 47.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -102.77 99.98 9.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 172.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -86.8 139.56 30.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 176.342 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo . . . . . 0 N--CA 1.459 -0.547 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -126.01 131.93 52.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -132.14 159.19 39.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -127.7 124.34 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.203 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.97 134.88 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.57 137.09 32.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.196 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.26 165.98 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 -179.689 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.3 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.846 0.355 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.05 136.88 74.95 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.719 1.612 . . . . 0.0 111.233 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 66.2 m-70 -79.98 155.16 27.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 171.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.5 m-20 -92.02 151.81 20.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 2.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -149.94 165.1 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.7 m -126.62 169.05 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.191 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo . . . . . 0 N--CA 1.459 -0.556 0 N-CA-C 111.201 -0.346 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.32 77.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.85 14.47 11.16 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.6 m -98.72 131.14 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mp -96.46 164.91 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -165.25 150.02 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -155.66 147.8 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.73 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 N--CA 1.457 -0.622 0 N-CA-C 111.153 -0.364 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.59 71.5 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.31 9.88 24.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.7 m -87.4 125.21 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 111.215 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -90.0 110.51 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.211 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -102.92 119.85 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.37 128.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.207 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -108.04 112.68 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 -172.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.5 110.18 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -82.03 117.17 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -177.241 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 N--CA 1.458 -0.574 0 N-CA-C 111.175 -0.356 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -124.9 141.55 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -111.65 119.3 38.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -126.53 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.71 135.06 35.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -130.08 160.74 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.657 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.93 143.18 99.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.741 1.628 . . . . 0.0 111.209 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 70.4 m-70 -69.42 153.97 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 169.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.503 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.0 m-20 -92.6 145.09 24.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 4.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -151.15 165.04 35.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 173.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.0 m -129.8 171.1 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -176.405 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo . . . . . 0 N--CA 1.458 -0.587 0 N-CA-C 111.198 -0.347 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.65 -27.6 73.58 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.56 -9.37 21.96 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.8 m -67.57 135.01 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 0.0 111.229 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . 2.2 mm? -90.31 151.78 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -157.32 155.02 29.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 t -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -179.115 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 N--CA 1.458 -0.605 0 N-CA-C 111.22 -0.339 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.43 70.89 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -9.68 26.29 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.2 m -66.93 130.52 43.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 111.192 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -97.27 113.06 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.215 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.6 116.61 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -95.28 128.99 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . 94.0 m-85 -106.34 112.4 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.242 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -83.98 111.0 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -80.0 129.14 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 174.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.457 -0.62 0 N-CA-C 111.248 -0.328 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -115.72 130.1 56.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -116.35 129.54 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.7 m -95.05 116.64 28.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.74 131.24 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.07 134.34 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -134.88 171.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.198 178.754 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.765 0.317 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.02 145.42 99.09 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.651 1.568 . . . . 0.0 111.231 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 65.6 m-70 -71.88 154.15 41.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.503 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 72.1 m-20 -92.06 149.44 21.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 4.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -155.38 165.12 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -134.93 174.79 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 178.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo . . . . . 0 N--CA 1.458 -0.585 0 N-CA-C 111.233 -0.333 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.08 -32.21 83.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.57 15.21 8.96 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -86.84 126.79 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.29 142.86 28.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -155.1 165.0 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 t -157.71 137.66 12.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.195 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.243 -178.568 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo . . . . . 0 N--CA 1.458 -0.612 0 N-CA-C 111.192 -0.349 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -25.34 71.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.46 -13.43 23.16 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -67.18 129.98 41.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -97.84 116.96 31.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.6 mt -94.87 121.96 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.85 125.02 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.207 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.81 123.24 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -97.41 105.37 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.242 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -76.75 134.91 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.229 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 166.449 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p -129.96 167.38 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -141.5 129.98 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -93.79 115.02 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.34 124.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.62 138.86 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.264 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.1 pt -134.98 167.03 26.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 176.624 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.74 0.305 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.77 -176.1 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.726 1.618 . . . . 0.0 111.138 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -95.01 9.95 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -120.04 63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -140.07 169.98 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -130.0 175.0 9.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 178.291 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 N--CA 1.457 -0.623 0 N-CA-C 111.217 -0.34 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.59 -27.12 72.28 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.18 16.81 10.75 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.4 m -94.05 121.01 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -85.3 151.2 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.236 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -159.55 150.99 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -144.22 129.88 19.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.285 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.704 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo . . . . . 0 N--CA 1.458 -0.575 0 N-CA-C 111.197 -0.347 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.01 71.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.08 10.95 21.56 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -94.35 129.99 40.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -93.38 114.09 26.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.0 mt -86.28 108.18 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.0 mt -92.29 125.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.22 120.44 39.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -171.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.11 104.99 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -84.07 112.52 20.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 N--CA 1.458 -0.584 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 p -129.19 167.08 18.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -145.62 133.92 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -98.54 117.49 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.27 129.48 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.221 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 137.32 32.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 pt -134.99 164.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 179.287 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.752 0.31 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -53.86 144.74 54.13 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.609 . . . . 0.0 111.226 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -62.26 -17.89 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -168.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -92.14 15.06 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -63.27 159.46 17.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 83.5 m -125.74 167.54 15.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.438 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo . . . . . 0 N--CA 1.458 -0.583 0 N-CA-C 111.142 -0.368 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.96 82.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.53 14.86 10.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.3 m -87.94 129.93 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.5 mt -85.21 146.47 27.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -159.79 160.03 33.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -149.32 130.0 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 172.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.585 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo . . . . . 0 N--CA 1.457 -0.627 0 N-CA-C 111.171 -0.357 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.62 71.47 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.7 10.22 23.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -91.96 121.49 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.715 0.293 . . . . 0.0 111.182 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -85.14 104.96 15.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.47 105.0 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -88.65 125.66 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -101.23 128.12 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -169.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -95.87 105.03 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -80.07 131.49 35.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 174.294 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.458 -0.59 0 N-CA-C 111.163 -0.36 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.8 m -128.99 139.47 52.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -130.12 161.62 30.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -125.75 124.02 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.222 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -129.89 129.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.78 137.36 32.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.98 165.05 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.755 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -52.89 141.02 57.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.622 1.548 . . . . 0.0 111.258 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -43.35 -41.27 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -171.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.71 79.58 2.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -140.07 165.1 28.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 172.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -138.46 169.34 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 171.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 N--CA 1.458 -0.575 0 N-CA-C 111.183 -0.353 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.28 -33.02 62.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 33.0 2.32 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.3 m -102.01 133.15 47.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 111.221 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -69.99 142.46 52.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -156.65 160.03 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 169.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -150.55 139.97 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 179.822 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 N--CA 1.458 -0.598 0 N-CA-C 111.146 -0.367 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.19 71.28 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -5.69 26.48 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -73.7 125.0 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -92.3 112.29 24.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -98.23 114.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -91.46 129.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -104.1 132.09 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -169.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.77 104.99 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -79.81 131.2 35.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 174.704 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.458 -0.573 0 N-CA-C 111.134 -0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.3 m -129.75 138.6 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -130.23 134.32 47.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -97.78 122.33 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.26 125.06 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 145.03 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.2 tp -150.35 145.21 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 178.506 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.778 0.323 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -54.73 137.27 74.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.782 1.654 . . . . 0.0 111.159 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 75.7 m-70 -84.58 155.8 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.448 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 51.5 p30 -94.85 177.45 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -0.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -165.2 172.15 12.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.89 148.96 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.412 ' HB ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.243 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo . . . . . 0 N--CA 1.459 -0.518 0 N-CA-C 111.184 -0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.91 -25.57 70.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.85 11.09 21.67 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.9 m -85.36 127.68 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 111.266 177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.412 ' HG ' ' HB ' ' A' ' 36' ' ' THR . 4.5 mp -114.86 144.98 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -160.1 155.04 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -152.08 132.05 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 178.8 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.458 -0.566 0 N-CA-C 111.169 -0.358 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.93 -26.26 71.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.48 8.52 26.65 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -91.21 125.19 35.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -90.73 114.3 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -94.89 119.18 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.8 mm -96.42 124.85 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -101.71 128.89 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -103.56 104.91 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -80.14 115.68 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -175.792 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.189 -0.351 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 157.34 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -150.51 165.56 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -125.11 129.89 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.37 128.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.45 138.5 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' A' ' 56' ' ' ARG . 50.2 pt -133.88 166.57 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 178.215 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.781 0.324 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.42 145.19 22.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.748 1.632 . . . . 0.0 111.2 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -91.08 -0.9 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -171.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -85.07 4.59 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -70.06 160.06 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.5 m -109.15 156.07 20.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -176.602 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.185 -0.352 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.75 -25.1 75.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.97 32.52 4.67 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.8 m -113.58 130.05 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.16 149.57 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -154.35 154.98 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 173.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.4 p -144.57 177.15 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.195 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 176.663 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.458 -0.608 0 N-CA-C 111.231 -0.334 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.08 -26.36 71.41 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.23 14.79 17.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -94.42 130.04 40.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.751 0.31 . . . . 0.0 111.233 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.94 137.55 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -121.57 119.01 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.9 mt -96.28 125.78 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -101.91 106.39 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -173.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -96.6 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 -175.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.404 ' HA ' HG13 ' A' ' 24' ' ' ILE . 72.6 ttt180 -82.13 120.13 24.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.213 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 -178.756 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.458 -0.588 0 N-CA-C 111.208 -0.343 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -119.21 125.74 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -112.79 129.99 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.47 135.42 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.36 167.78 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.587 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.811 0.339 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.87 144.97 53.17 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.705 1.604 . . . . 0.0 111.204 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -96.71 -0.97 47.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -170.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -84.85 3.54 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 171.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -74.8 163.07 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 172.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 150.04 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.9 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 179.534 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo . . . . . 0 N--CA 1.459 -0.541 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.17 -28.7 69.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.27 26.43 5.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.9 m -98.29 127.07 44.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.43 143.13 46.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.99 164.94 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 173.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -143.26 166.14 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 177.341 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 N--CA 1.458 -0.584 0 N-CA-C 111.169 -0.358 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -26.41 71.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.55 -4.94 27.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -70.06 130.0 40.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -96.23 117.52 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.46 115.04 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -98.7 129.85 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -107.4 99.47 8.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.07 110.14 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -82.33 117.75 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.622 0 N-CA-C 111.229 -0.335 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -134.95 133.64 39.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -131.23 144.76 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -115.14 126.99 55.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -175.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.0 157.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.79 135.05 40.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -121.03 126.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.232 -174.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.794 0.331 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.01 145.09 25.98 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.633 1.555 . . . . 0.0 111.233 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -93.54 0.36 56.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -84.78 4.8 31.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -71.17 161.29 31.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -114.9 146.17 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.268 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.0 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -178.008 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 N--CA 1.457 -0.628 0 N-CA-C 111.183 -0.353 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.67 73.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.24 37.52 2.47 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.4 m -117.67 128.09 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.259 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.05 143.65 43.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.191 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -151.65 165.0 35.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.1 t -154.65 139.98 17.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.185 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 178.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo . . . . . 0 N--CA 1.459 -0.558 0 N-CA-C 111.25 -0.327 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -26.11 71.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.38 11.11 24.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -94.89 126.08 39.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 111.193 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -89.63 130.03 35.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.08 119.96 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.2 mt -95.03 137.1 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -114.99 94.95 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -174.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.13 111.2 15.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -61.19 124.96 22.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 175.607 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.561 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -127.05 130.02 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -114.5 128.22 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -95.07 115.03 26.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.2 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -124.97 124.95 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.1 140.45 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -129.16 160.02 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -178.292 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mp . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.22 144.51 22.95 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.679 1.586 . . . . 0.0 111.149 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -93.27 2.76 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -171.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -86.74 4.11 42.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 170.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.43 161.6 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -107.13 156.28 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 -178.752 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 N--CA 1.459 -0.541 0 N-CA-C 111.206 -0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.25 70.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.68 4.31 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.0 m -104.3 131.63 51.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.193 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.32 148.25 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -154.93 155.08 33.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 171.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 p -142.13 171.25 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 N--CA 1.458 -0.602 0 N-CA-C 111.225 -0.337 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.22 -25.97 71.36 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.58 -13.69 22.8 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -67.52 129.94 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -94.91 125.18 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.217 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.3 mt -102.44 120.75 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -96.1 126.84 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.95 100.32 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -83.0 109.68 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -69.94 102.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.457 -0.648 0 N-CA-C 111.214 -0.341 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -115.32 128.62 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -113.48 125.7 54.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -93.75 115.06 27.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -125.03 124.99 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 139.1 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 pt -130.01 160.01 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.22 177.789 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.782 0.325 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.6 144.98 31.34 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.678 1.585 . . . . 0.0 111.217 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -94.83 1.02 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -171.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -85.03 4.97 31.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 173.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -69.98 159.95 32.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -115.59 158.03 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -176.716 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 N--CA 1.459 -0.553 0 N-CA-C 111.195 -0.348 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.0 -28.61 73.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.68 33.37 3.33 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -110.59 129.57 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.75 141.26 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.25 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -151.09 164.23 36.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 p -155.0 147.88 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 174.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 -179.449 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo . . . . . 0 N--CA 1.457 -0.656 0 N-CA-C 111.193 -0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.35 71.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.58 -7.81 26.19 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.8 m -70.3 130.02 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -97.15 115.72 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.4 mt -97.45 122.43 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.6 mm -99.63 125.66 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.49 106.56 17.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -89.82 114.97 26.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.237 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -178.361 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.189 -0.35 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -127.45 131.77 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.39 128.98 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.198 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -95.12 115.96 28.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.85 140.09 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.239 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.414 HG13 ' HA ' ' A' ' 56' ' ' ARG . 49.3 pt -132.8 170.78 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 -178.766 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.822 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.82 144.94 42.0 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.728 1.619 . . . . 0.0 111.135 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.34 -0.6 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -170.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -84.92 3.69 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 172.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -73.14 163.04 28.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 171.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -114.93 146.29 41.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -178.474 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo . . . . . 0 N--CA 1.458 -0.585 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.28 -25.53 75.38 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.36 34.61 3.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -113.66 127.46 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.76 141.39 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -150.06 161.99 41.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.5 p -150.28 147.36 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -176.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo . . . . . 0 N--CA 1.459 -0.517 0 N-CA-C 111.161 -0.361 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -26.36 71.38 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.74 -13.48 22.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -68.01 130.01 41.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.736 0.303 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -95.75 120.46 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -94.95 119.21 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -95.66 122.37 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -99.17 118.08 35.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.4 103.71 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HA ' HG13 ' A' ' 24' ' ' ILE . 73.9 ttt180 -71.66 126.22 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -171.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.528 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.458 -0.615 0 N-CA-C 111.184 -0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -113.12 130.03 56.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.78 130.01 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -99.27 120.01 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.2 t -127.08 130.3 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.58 143.79 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.241 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 88.2 mt -119.49 113.21 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.8 p -116.84 5.0 12.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -157.66 157.26 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.07 -25.08 66.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.73 71.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -89.97 -21.76 22.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 29.2 tp -62.14 119.61 50.57 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 173.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 32.3 Cg_exo -59.57 167.8 6.1 Favored 'Trans proline' 0 C--N 1.328 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.213 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -110.03 0.12 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -133.54 14.0 4.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -68.25 159.99 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.4 m -120.96 163.34 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 170.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.8 m -135.01 134.05 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.0 -30.74 71.15 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.756 1.638 . . . . 0.0 111.177 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.55 -26.22 74.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.69 30.66 5.14 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -108.45 130.55 55.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -84.33 145.06 28.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -155.05 155.06 33.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -154.87 140.43 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 173.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.6 m -114.99 129.06 56.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.203 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.13 -28.74 80.49 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.7 1.6 . . . . 0.0 111.222 -175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.0 -24.86 70.48 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.65 -8.28 28.03 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.0 m -67.92 130.05 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.23 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -99.89 112.89 25.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.227 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.17 118.87 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.57 127.13 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 175.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -103.0 137.24 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -171.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -104.09 99.66 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.25 168.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 75.2 ttt180 -79.97 89.96 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -172.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -83.71 -21.66 32.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -54.16 -55.22 29.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.44 121.08 27.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.5 mt -86.63 -40.27 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -85.05 70.6 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 178.861 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.209 -0.343 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.8 m -128.13 129.94 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -111.59 130.01 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -93.79 119.64 33.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.8 t -122.77 124.98 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 141.35 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.8 mm -123.87 127.18 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.223 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.4 p -103.18 -18.04 15.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -160.05 160.78 33.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.06 -21.71 66.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 -24.95 66.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -91.32 -5.05 55.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.301 -176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt -86.83 149.93 49.25 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 26.3 Cg_exo -62.9 178.75 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.733 1.622 . . . . 0.0 111.207 175.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -106.85 0.16 23.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -138.34 20.0 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -68.88 162.76 25.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.22 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -122.92 166.43 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.8 m -135.09 135.06 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -55.02 -31.51 74.91 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.689 1.593 . . . . 0.0 111.218 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.88 78.05 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 19.43 7.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m -96.45 129.85 43.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.831 0.348 . . . . 0.0 111.152 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.89 145.25 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -154.04 164.15 38.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -150.33 173.06 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.207 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.3 m -140.4 130.08 24.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -56.46 -30.3 81.51 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.756 1.638 . . . . 0.0 111.228 -175.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.63 -25.41 71.59 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.59 -12.27 25.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.2 m -66.11 133.95 51.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.49 145.04 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.6 mt -125.0 124.9 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -104.27 125.02 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.91 122.19 43.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -172.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -100.31 98.2 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.166 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -86.91 139.33 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -174.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -49.3 -40.08 33.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -111.86 38.13 2.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.2 tp -59.65 136.95 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.29 -34.95 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.216 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -76.97 77.94 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.198 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.617 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.458 -0.605 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -115.02 125.15 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.09 127.99 52.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.0 m -98.63 121.01 40.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.227 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.7 t -124.95 125.0 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.15 141.78 31.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.9 mm -124.32 127.18 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.2 p -103.69 -16.49 15.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -159.46 160.0 34.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.215 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -21.43 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.15 -24.89 65.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.23 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -92.09 -4.99 53.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 96.0 mt -85.61 149.9 52.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 27.2 Cg_exo -62.79 178.69 0.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.688 1.592 . . . . 0.0 111.267 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -106.9 0.95 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.236 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.1 20.05 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -68.71 164.33 21.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -126.1 168.5 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -135.02 136.18 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -55.35 -31.49 77.37 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 121.648 1.566 . . . . 0.0 111.158 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.81 -25.63 75.08 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.04 38.7 3.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.0 m -116.21 130.14 56.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -82.78 145.32 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.216 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.43 163.84 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.208 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.1 p -150.02 169.64 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 171.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -137.53 131.1 31.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.87 -29.17 80.59 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.714 1.61 . . . . 0.0 111.217 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -25.49 70.87 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.25 -7.15 28.74 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -67.84 131.46 45.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.218 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.97 118.55 36.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -101.85 122.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.0 mt -101.06 125.03 55.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -100.34 123.94 45.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 -172.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -101.8 96.83 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -84.35 140.62 31.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.168 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -49.84 -39.97 40.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -110.25 36.75 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 tp -63.19 137.4 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.7 -44.94 86.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -75.37 83.18 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.258 174.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.396 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 N-CA-C 111.156 -0.363 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -120.94 136.33 54.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.64 159.93 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.28 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.5 m -126.11 124.75 41.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.24 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.2 131.56 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.09 147.78 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.5 mt -123.33 95.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.3 p -85.55 -14.87 44.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.256 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -155.59 164.3 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.34 -25.35 68.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -28.94 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -95.79 -3.73 45.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.0 tp -73.7 124.01 89.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.241 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.11 176.52 0.99 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.739 1.626 . . . . 0.0 111.156 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -122.51 -1.49 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -129.61 14.09 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.211 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -71.28 161.02 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 82.8 m -129.55 157.9 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 172.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -121.34 131.61 54.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.21 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -55.09 -31.01 73.26 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.773 1.649 . . . . 0.0 111.163 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.9 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.71 37.82 2.5 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -116.71 133.92 55.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.159 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -83.9 143.06 30.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -152.01 155.13 37.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 t -150.34 140.04 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m -114.55 126.23 54.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.211 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -57.04 -28.89 80.8 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.716 1.61 . . . . 0.0 111.164 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.91 71.04 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.35 5.8 29.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -81.65 130.06 34.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.186 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.8 112.32 24.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.261 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.6 117.8 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.172 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.1 mt -94.76 132.21 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -106.86 133.41 51.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -171.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -107.01 99.35 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -84.13 141.7 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.255 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.05 -40.17 44.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 174.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -111.76 37.99 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.14 134.99 57.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.71 -43.66 94.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -80.58 85.17 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 . . . . . 0 C--O 1.201 -1.486 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.759 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 N--CA 1.458 -0.613 0 N-CA-C 111.206 -0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -121.04 136.41 54.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -129.92 160.07 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.214 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -126.38 124.75 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -129.46 132.11 66.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.7 144.97 25.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 56' ' ' ARG . 85.8 mt -118.03 108.19 23.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p -106.78 -5.05 18.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -158.19 162.55 37.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -24.08 67.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.2 -31.2 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -93.35 -23.23 18.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.59 119.2 41.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.205 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HB2' ' HB3' ' A' ' 34' ' ' TYR . 31.4 Cg_exo -60.93 166.9 9.64 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.654 1.569 . . . . 0.0 111.249 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -108.48 1.09 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -139.77 22.07 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' PRO . 23.2 p90 -73.37 159.99 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.1 m -120.32 164.35 16.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 169.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -135.02 134.28 40.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -55.05 -30.56 70.74 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.675 1.583 . . . . 0.0 111.242 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.04 -28.36 73.41 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.87 31.43 4.18 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.1 m -109.81 130.76 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.32 . . . . 0.0 111.204 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.44 146.21 28.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -155.48 153.52 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.219 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 t -155.38 145.43 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.2 m -115.12 128.11 56.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.89 -29.46 81.92 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.775 1.65 . . . . 0.0 111.183 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -25.86 71.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.84 8.54 27.85 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -84.53 130.02 34.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.258 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -96.81 112.63 24.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.5 mt -102.78 117.95 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.3 mt -93.52 130.22 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 173.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -106.07 133.6 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -171.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.3 98.19 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 170.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 68.9 ttp85 -84.03 108.74 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.175 -171.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -93.4 -34.43 13.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 170.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -59.06 120.82 9.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 174.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.4 mt -77.75 142.41 38.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.226 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.6 mt -104.85 154.95 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.02 145.05 53.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.199 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.458 -0.568 0 N-CA-C 111.188 -0.351 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.2 p -130.2 157.06 43.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -135.86 157.93 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -124.69 119.01 27.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.2 t -128.16 135.39 62.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.195 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.49 128.08 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.3 mm -124.96 134.27 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p -76.97 -32.19 57.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -165.03 155.44 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.63 67.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -25.34 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.269 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.61 -35.63 20.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 41.1 tp -74.97 119.11 75.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 30' ' ' LEU . 31.2 Cg_exo -62.13 146.56 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.664 1.576 . . . . 0.0 111.179 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 67.2 m-70 -66.6 153.33 43.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 169.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.502 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.4 m-20 -95.0 149.66 21.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 6.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -157.01 166.73 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.1 m -125.03 154.97 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 m -131.8 139.8 48.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -55.67 -32.01 81.97 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.661 1.574 . . . . 0.0 111.141 -175.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.65 -29.1 74.38 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.23 3.68 25.9 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -88.16 138.42 31.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . 10.4 mp -103.2 161.91 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.239 -174.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -160.33 152.68 20.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 172.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t -156.22 146.24 21.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.227 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.8 m -114.89 126.63 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.87 -28.84 79.2 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.735 1.624 . . . . 0.0 111.229 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.74 -26.39 71.05 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.78 9.44 26.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.09 124.97 33.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.128 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -90.3 109.94 21.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.203 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.85 115.05 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.9 mm -92.67 127.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . 94.1 m-85 -107.65 104.81 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.183 -172.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -82.81 114.67 21.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -60.24 119.94 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.38 -29.95 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -109.97 30.7 6.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.4 tp -55.37 121.12 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.24 -42.63 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -85.11 73.84 10.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.199 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -178.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.458 -0.577 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -117.52 129.94 56.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -122.56 130.04 52.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.5 m -99.65 120.0 38.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -126.54 130.89 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.07 147.39 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.8 mt -124.42 95.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.5 p -84.53 -19.14 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -155.1 171.19 20.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -24.88 67.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.22 66.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -100.01 5.34 45.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 31' ' ' PRO . 39.3 tp -95.46 116.25 66.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' HD12 ' A' ' 30' ' ' LEU . 66.4 Cg_endo -70.5 -177.7 2.25 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.723 1.615 . . . . 0.0 111.196 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -123.46 -4.77 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.219 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.9 p-10 -108.7 37.53 2.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -109.98 162.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -127.54 169.81 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.6 m -132.96 134.08 44.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.96 -31.3 73.44 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.698 1.598 . . . . 0.0 111.201 -177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.58 -32.03 81.98 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.05 21.05 6.83 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.71 143.21 31.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.228 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -152.34 160.02 43.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -152.74 133.49 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.254 172.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.9 m -112.33 125.71 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.94 -28.75 79.36 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.708 1.605 . . . . 0.0 111.225 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -25.26 70.74 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.75 -11.89 25.23 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -65.14 130.16 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.164 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -100.07 113.69 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.1 mt -96.12 119.61 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.5 mt -100.55 126.46 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -101.37 129.11 47.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -102.77 99.98 9.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.175 172.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -86.8 139.56 30.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -50.0 -40.17 43.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -113.07 39.08 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.4 tp -57.44 135.8 56.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.98 -34.54 78.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -81.21 100.54 9.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.264 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -176.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo . . . . . 0 N--CA 1.459 -0.547 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -126.01 131.93 52.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.241 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -132.14 159.19 39.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -127.7 124.34 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.203 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.97 134.88 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.179 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.57 137.09 32.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.196 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.26 165.98 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.9 p -108.88 -34.68 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -139.37 111.15 7.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.04 68.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.206 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -24.07 67.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -93.8 -4.98 49.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.3 tp -73.26 125.69 90.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.05 136.88 74.95 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.719 1.612 . . . . 0.0 111.233 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 66.2 m-70 -79.98 155.16 27.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 171.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.5 m-20 -92.02 151.81 20.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 2.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -149.94 165.1 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.7 m -126.62 169.05 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.191 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.1 t -150.02 154.56 38.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.34 -28.66 73.35 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.721 1.614 . . . . 0.0 111.201 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.32 77.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.85 14.47 11.16 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.6 m -98.72 131.14 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mp -96.46 164.91 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 -175.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -165.25 150.02 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -155.66 147.8 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.0 m -110.82 126.59 54.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -56.23 -29.98 78.14 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.758 1.639 . . . . 0.0 111.153 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.59 71.5 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.31 9.88 24.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.7 m -87.4 125.21 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 111.215 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -90.0 110.51 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.211 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -102.92 119.85 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.5 mt -92.37 128.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.207 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -108.04 112.68 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.263 -172.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.5 110.18 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -82.03 117.17 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.6 -30.99 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 -177.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -55.64 -45.34 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.15 155.75 32.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.61 -17.48 61.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -77.2 75.1 3.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.227 177.4 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 N--CA 1.458 -0.574 0 N-CA-C 111.175 -0.356 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -119.44 132.99 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -124.9 141.55 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -111.65 119.3 38.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.1 t -126.53 134.87 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.71 135.06 35.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -130.08 160.74 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m -82.7 -39.94 21.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -164.08 162.1 22.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.96 -32.01 73.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -24.66 67.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -95.55 5.68 50.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 tp -105.79 111.35 64.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.93 143.18 99.62 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.741 1.628 . . . . 0.0 111.209 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 70.4 m-70 -69.42 153.97 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 169.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.503 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 71.0 m-20 -92.6 145.09 24.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 4.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -151.15 165.04 35.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 173.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.0 m -129.8 171.1 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -138.06 150.24 46.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . 0.406 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 75.8 Cg_exo -54.97 -31.42 74.08 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.634 1.556 . . . . 0.0 111.198 -177.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.65 -27.6 73.58 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.56 -9.37 21.96 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.8 m -67.57 135.01 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 0.0 111.229 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . 2.2 mm? -90.31 151.78 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.223 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -157.32 155.02 29.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 t -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.1 m -115.21 129.15 56.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -56.65 -29.61 80.37 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.714 1.61 . . . . 0.0 111.22 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.43 70.89 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -9.68 26.29 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.2 m -66.93 130.52 43.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 111.192 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -97.27 113.06 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.215 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.6 116.61 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -95.28 128.99 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . 94.0 m-85 -106.34 112.4 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.242 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -83.98 111.0 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -80.0 129.14 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -49.93 -40.07 42.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -108.58 34.89 3.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 tp -58.53 125.17 22.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.161 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.86 121.22 17.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.24 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -82.98 80.36 9.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 . . . . . 0 C--O 1.2 -1.505 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.596 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.457 -0.62 0 N-CA-C 111.248 -0.328 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -115.72 130.1 56.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -116.35 129.54 56.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.2 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.7 m -95.05 116.64 28.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.74 131.24 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.07 134.34 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -134.88 171.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.202 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.1 m -78.67 -52.41 8.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.198 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -163.0 163.59 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.37 72.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.211 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 -25.04 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 173.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -100.54 13.36 34.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 tp -105.45 111.68 64.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.02 145.42 99.09 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.651 1.568 . . . . 0.0 111.231 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 65.6 m-70 -71.88 154.15 41.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.503 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 72.1 m-20 -92.06 149.44 21.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 4.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -155.38 165.12 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -134.93 174.79 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.8 t -146.68 150.21 34.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.05 -31.25 74.04 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.754 1.636 . . . . 0.0 111.233 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.08 -32.21 83.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.57 15.21 8.96 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 m -86.84 126.79 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.29 142.86 28.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -155.1 165.0 38.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 t -157.71 137.66 12.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.195 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -109.64 127.14 54.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.243 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -56.55 -28.84 76.14 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.764 1.643 . . . . 0.0 111.192 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.2 -25.34 71.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.46 -13.43 23.16 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.2 m -67.18 129.98 41.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -97.84 116.96 31.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.6 mt -94.87 121.96 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.85 125.02 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.207 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.81 123.24 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -171.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -97.41 105.37 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.242 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -76.75 134.91 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.229 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.47 -40.32 71.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 166.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.93 39.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.261 177.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.5 tp -58.12 123.67 16.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.21 -23.16 35.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -68.77 113.08 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p -129.96 167.38 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -141.5 129.98 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -93.79 115.02 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.34 124.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.62 138.86 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.264 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.1 pt -134.98 167.03 26.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.1 p -100.51 -27.79 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -165.02 160.07 18.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.214 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.12 -13.5 60.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 -22.31 65.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -89.43 -3.79 58.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -95.61 159.43 32.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.77 -176.1 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.726 1.618 . . . . 0.0 111.138 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -95.01 9.95 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -120.04 63.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -140.07 169.98 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -130.0 175.0 9.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t -150.65 150.01 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.95 -29.89 75.37 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.679 1.586 . . . . 0.0 111.217 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.59 -27.12 72.28 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.18 16.81 10.75 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.4 m -94.05 121.01 35.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -85.3 151.2 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.236 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -159.55 150.99 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -144.22 129.88 19.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.285 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.9 p -90.12 164.02 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -56.24 -29.83 77.63 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.684 1.589 . . . . 0.0 111.197 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.01 71.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.08 10.95 21.56 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -94.35 129.99 40.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -93.38 114.09 26.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.0 mt -86.28 108.18 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.0 mt -92.29 125.02 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -100.22 120.44 39.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -171.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.11 104.99 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -84.07 112.52 20.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -54.6 -39.75 68.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -107.03 34.95 3.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.6 tp -56.19 120.63 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -88.53 -16.06 33.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.2 142.22 55.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -179.803 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 N--CA 1.458 -0.584 0 N-CA-C 111.203 -0.345 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.7 p -129.19 167.08 18.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -145.62 133.92 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -98.54 117.49 33.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.1 t -129.27 129.48 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.221 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 137.32 32.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.8 pt -134.99 164.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.9 m -86.57 -40.07 15.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.229 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -162.91 166.87 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.88 -21.47 66.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -20.49 65.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -88.45 -2.49 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt -99.45 149.11 35.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -53.86 144.74 54.13 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.609 . . . . 0.0 111.226 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -62.26 -17.89 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -168.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -92.14 15.06 14.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -63.27 159.46 17.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 83.5 m -125.74 167.54 15.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 t -149.96 149.25 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -55.01 -30.88 71.95 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.701 1.6 . . . . 0.0 111.142 -176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -31.96 82.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.53 14.86 10.04 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.3 m -87.94 129.93 35.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.181 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.5 mt -85.21 146.47 27.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -159.79 160.03 33.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -149.32 130.0 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 172.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -99.7 124.88 45.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.52 -28.39 73.67 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.717 1.611 . . . . 0.0 111.171 -177.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.62 71.47 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.7 10.22 23.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.8 m -91.96 121.49 33.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.715 0.293 . . . . 0.0 111.182 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -85.14 104.96 15.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.47 105.0 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.4 mt -88.65 125.66 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.257 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -101.23 128.12 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -169.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -95.87 105.03 16.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.282 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -80.07 131.49 35.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -48.9 -39.49 26.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 174.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -108.86 32.97 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.86 122.04 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.3 mt -84.96 -14.11 48.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -79.3 103.57 9.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.458 -0.59 0 N-CA-C 111.163 -0.36 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.8 m -128.99 139.47 52.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -130.12 161.62 30.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.0 m -125.75 124.02 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.222 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -129.89 129.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.78 137.36 32.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.1 pt -134.98 165.05 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m -86.49 -39.94 15.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -161.67 162.04 29.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.54 66.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -20.65 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -86.79 -5.05 59.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.8 mt -93.06 141.44 24.08 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -52.89 141.02 57.13 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.622 1.548 . . . . 0.0 111.258 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -43.35 -41.27 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -171.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.71 79.58 2.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -140.07 165.1 28.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 172.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -138.46 169.34 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.5 p -121.64 152.58 39.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 171.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . 0.431 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 87.4 Cg_exo -53.0 -31.62 54.24 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.663 1.576 . . . . 0.0 111.183 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.28 -33.02 62.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 33.0 2.32 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.3 m -102.01 133.15 47.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 111.221 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -69.99 142.46 52.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -156.65 160.03 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 169.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.9 t -150.55 139.97 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -108.61 125.1 51.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . 0.403 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 46' ' ' TPO . 71.0 Cg_exo -55.92 -29.45 73.12 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.764 1.642 . . . . 0.0 111.146 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.19 71.28 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.46 -5.69 26.48 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.9 m -73.7 125.0 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -92.3 112.29 24.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -98.23 114.24 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -91.46 129.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -104.1 132.09 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -169.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -100.77 104.99 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -79.81 131.2 35.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -48.16 -39.72 21.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -109.96 33.03 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.2 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.83 120.51 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.66 -25.14 56.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -67.67 110.22 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.233 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.199 -1.584 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.458 -0.573 0 N-CA-C 111.134 -0.371 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.3 m -129.75 138.6 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -130.23 134.32 47.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -97.78 122.33 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.228 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.26 125.06 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 145.03 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.2 tp -150.35 145.21 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.2 m -59.53 -57.57 12.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -141.93 160.06 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.23 68.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.78 -22.42 66.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -94.52 5.15 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -175.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.8 mt -96.21 127.66 39.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -54.73 137.27 74.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.782 1.654 . . . . 0.0 111.159 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.448 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 75.7 m-70 -84.58 155.8 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.448 ' HA ' ' CB ' ' A' ' 32' ' ' HIS . 51.5 p30 -94.85 177.45 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -0.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -165.2 172.15 12.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.201 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.89 148.96 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.412 ' HB ' ' HG ' ' A' ' 42' ' ' LEU . 12.2 t -147.49 147.24 29.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.243 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.61 -29.31 84.76 Favored 'Trans proline' 0 C--N 1.328 -0.544 0 C-N-CA 121.691 1.594 . . . . 0.0 111.184 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.91 -25.57 70.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.85 11.09 21.67 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.9 m -85.36 127.68 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 111.266 177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' HG ' ' HB ' ' A' ' 36' ' ' THR . 4.5 mp -114.86 144.98 42.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -160.1 155.04 24.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -152.08 132.05 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -101.59 125.58 48.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -56.46 -28.83 75.31 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.757 1.638 . . . . 0.0 111.169 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.93 -26.26 71.2 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.48 8.52 26.65 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -91.21 125.19 35.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -90.73 114.3 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -94.89 119.18 42.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.8 mm -96.42 124.85 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -101.71 128.89 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -103.56 104.91 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -80.14 115.68 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.36 -37.88 80.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -105.34 41.74 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.59 123.96 19.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.93 -23.13 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.99 145.05 52.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 . . . . . 0 C--O 1.199 -1.575 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.458 -0.58 0 N-CA-C 111.189 -0.351 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.5 p -130.54 157.34 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -150.51 165.56 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.7 m -125.11 129.89 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.37 128.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.45 138.5 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' A' ' 56' ' ' ARG . 50.2 pt -133.88 166.57 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.0 p -113.51 -23.41 9.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -148.88 104.96 3.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.71 -23.32 66.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.18 -22.56 66.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -85.02 -5.22 59.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt -88.29 153.86 51.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.196 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.42 145.19 22.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.748 1.632 . . . . 0.0 111.2 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -91.08 -0.9 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -171.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -85.07 4.59 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -70.06 160.06 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.5 m -109.15 156.07 20.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.6 m -134.05 134.16 42.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -55.46 -29.88 71.01 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.698 1.599 . . . . 0.0 111.185 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.75 -25.1 75.34 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.97 32.52 4.67 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.8 m -113.58 130.05 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.16 149.57 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -154.35 154.98 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 173.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.4 p -144.57 177.15 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.195 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m -139.93 130.03 25.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.7 -29.96 82.17 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.651 1.567 . . . . 0.0 111.231 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.08 -26.36 71.41 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.23 14.79 17.56 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.9 m -94.42 130.04 40.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.751 0.31 . . . . 0.0 111.233 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.94 137.55 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.2 mt -121.57 119.01 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.9 mt -96.28 125.78 49.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -101.91 106.39 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -173.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -96.6 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 -175.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.404 ' HA ' HG13 ' A' ' 24' ' ' ILE . 72.6 ttt180 -82.13 120.13 24.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.213 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.6 -29.13 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -63.33 -43.87 96.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.7 mt -93.23 -2.35 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt 54.98 46.68 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.232 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -55.08 135.01 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.25 -178.552 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.458 -0.588 0 N-CA-C 111.208 -0.343 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -119.21 125.74 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -112.79 129.99 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.47 135.42 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -131.36 167.78 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p -107.25 -27.24 10.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -153.13 112.1 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.03 -23.76 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -20.24 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -87.52 -4.93 58.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.03 161.72 24.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -53.87 144.97 53.17 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.705 1.604 . . . . 0.0 111.204 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -96.71 -0.97 47.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -170.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -84.85 3.54 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 171.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -74.8 163.07 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.21 172.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 150.04 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.9 p -112.53 150.02 31.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . 0.41 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 82.1 Cg_exo -53.98 -31.4 63.57 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.683 1.589 . . . . 0.0 111.203 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.17 -28.7 69.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.27 26.43 5.17 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.9 m -98.29 127.07 44.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.43 143.13 46.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -151.99 164.94 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 173.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -143.26 166.14 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -135.02 129.9 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -56.36 -29.72 78.2 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.682 1.588 . . . . 0.0 111.169 -176.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -26.41 71.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.55 -4.94 27.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -70.06 130.0 40.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -96.23 117.52 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.236 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.46 115.04 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -98.7 129.85 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -107.4 99.47 8.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.07 110.14 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -82.33 117.75 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.187 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.67 -39.35 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -108.1 34.77 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.0 120.15 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -100.73 -10.72 20.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -70.06 -34.96 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.201 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 . . . . . 0 C--O 1.2 -1.525 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -179.632 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.457 -0.622 0 N-CA-C 111.229 -0.335 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.9 m -134.95 133.64 39.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -131.23 144.76 51.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -115.14 126.99 55.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -175.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.0 157.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.79 135.05 40.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.1 mm -121.03 126.79 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.5 p -70.77 -30.01 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.232 -174.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -151.42 94.97 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.21 -15.15 62.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -174.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 -20.77 66.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -85.32 -5.15 59.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.252 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -85.87 155.84 58.37 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.01 145.09 25.98 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.633 1.555 . . . . 0.0 111.233 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -93.54 0.36 56.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -84.78 4.8 31.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -71.17 161.29 31.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.8 m -114.9 146.17 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.268 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.0 m -118.02 135.17 54.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.03 -30.86 72.01 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.73 1.62 . . . . 0.0 111.183 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.16 -28.67 73.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.24 37.52 2.47 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.4 m -117.67 128.09 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.259 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.05 143.65 43.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.191 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -151.65 165.0 35.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 174.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.1 t -154.65 139.98 17.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.185 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -111.01 128.58 55.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -56.72 -28.62 76.74 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.624 1.549 . . . . 0.0 111.25 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.01 -26.11 71.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.38 11.11 24.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.4 m -94.89 126.08 39.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.843 0.354 . . . . 0.0 111.193 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -89.63 130.03 35.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.08 119.96 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.2 mt -95.03 137.1 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -114.99 94.95 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -174.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.13 111.2 15.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -61.19 124.96 22.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.95 -41.05 70.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -151.1 164.98 35.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.72 120.0 11.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.9 mt -83.89 -24.67 30.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.235 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -83.55 74.97 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 . . . . . 0 C--O 1.201 -1.452 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -179.425 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.561 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -127.05 130.02 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -114.5 128.22 56.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -95.07 115.03 26.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.2 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.5 t -124.97 124.95 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.1 140.45 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -129.16 160.02 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.2 p -102.32 -26.92 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -154.16 116.97 4.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.226 -176.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.77 65.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.26 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.0 -22.11 66.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -86.44 -5.55 59.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mp -93.74 146.35 31.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 177.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.22 144.51 22.95 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.679 1.586 . . . . 0.0 111.149 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -93.27 2.76 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -171.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -86.74 4.11 42.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 170.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.43 161.6 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -107.13 156.28 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 176.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.8 p -126.04 149.93 48.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . 0.407 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 37' ' ' TPO . 76.5 Cg_exo -54.49 -30.0 62.24 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.647 1.565 . . . . 0.0 111.206 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.18 -29.25 70.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.69 29.68 4.31 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.0 m -104.3 131.63 51.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.193 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.32 148.25 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -154.93 155.08 33.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 171.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 p -142.13 171.25 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m -134.98 130.06 35.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.01 -29.79 75.4 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.734 1.622 . . . . 0.0 111.225 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.22 -25.97 71.36 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.58 -13.69 22.8 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.0 m -67.52 129.94 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -94.91 125.18 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.217 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.3 mt -102.44 120.75 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -96.1 126.84 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.95 100.32 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -83.0 109.68 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -69.94 102.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.08 -50.72 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -95.05 -171.48 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.215 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.5 mt -95.38 19.31 11.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.222 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.9 mt -86.9 93.38 9.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -89.99 -174.03 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.251 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.457 -0.648 0 N-CA-C 111.214 -0.341 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -115.32 128.62 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -113.48 125.7 54.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.5 m -93.75 115.06 27.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -125.03 124.99 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.37 139.1 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 pt -130.01 160.01 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 98.9 p -95.81 -25.04 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.22 177.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -166.7 154.92 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.56 -16.97 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.209 176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 -23.45 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.241 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.43 0.25 57.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.6 mt -108.49 155.04 41.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.6 144.98 31.34 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.678 1.585 . . . . 0.0 111.217 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -94.83 1.02 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -171.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -85.03 4.97 31.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 173.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -69.98 159.95 32.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.234 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -115.59 158.03 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.227 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -130.08 135.37 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.98 -31.15 72.94 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.64 1.56 . . . . 0.0 111.195 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.0 -28.61 73.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.68 33.37 3.33 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 175.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -110.59 129.57 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.75 141.26 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.25 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -151.09 164.23 36.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 175.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 p -155.0 147.88 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 174.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -115.04 127.08 55.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.99 -29.8 75.28 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.728 1.618 . . . . 0.0 111.193 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.99 -26.35 71.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.58 -7.81 26.19 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.8 m -70.3 130.02 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.205 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -97.15 115.72 28.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.4 mt -97.45 122.43 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.6 mm -99.63 125.66 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -102.49 106.56 17.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -172.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -89.82 114.97 26.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.237 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.53 -30.81 68.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -106.82 27.2 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 -175.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.75 121.24 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -90.92 -13.71 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -85.05 93.94 8.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.5 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.242 179.326 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.458 -0.6 0 N-CA-C 111.189 -0.35 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.2 m -127.45 131.77 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.39 128.98 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.198 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -95.12 115.96 28.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.85 140.09 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.239 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.414 HG13 ' HA ' ' A' ' 56' ' ' ARG . 49.3 pt -132.8 170.78 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -97.96 -27.57 14.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.179 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -168.85 154.93 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 176.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 -22.32 42.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.93 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -89.79 -3.19 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.193 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -108.37 156.88 37.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.82 144.94 42.0 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.728 1.619 . . . . 0.0 111.135 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.34 -0.6 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -170.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -84.92 3.69 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 172.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -73.14 163.04 28.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 171.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -114.93 146.29 41.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -119.82 134.46 55.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -55.05 -30.46 70.23 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.646 1.564 . . . . 0.0 111.23 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.28 -25.53 75.38 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.36 34.61 3.85 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -113.66 127.46 56.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.76 141.39 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -150.06 161.99 41.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.5 p -150.28 147.36 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -113.9 127.73 56.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -55.93 -29.62 74.0 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 121.701 1.601 . . . . 0.0 111.161 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.04 -26.36 71.38 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.74 -13.48 22.49 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -68.01 130.01 41.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.736 0.303 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -95.75 120.46 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -94.95 119.21 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -95.66 122.37 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -99.17 118.08 35.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -84.4 103.71 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HA ' HG13 ' A' ' 24' ' ' ILE . 73.9 ttt180 -71.66 126.22 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -171.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 59.75 42.68 16.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -129.97 2.8 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.76 122.43 18.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 173.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 99.0 mt -85.0 -21.5 29.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -69.97 144.97 52.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.203 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.188 -179.773 . . . . . . . . 0 0 . 1 stop_ save_